home *** CD-ROM | disk | FTP | other *** search
| Unknown | 2003-04-09 | 656.9 KB |
open in: 
MacOS 8.1
|
Win98
|
DOS
view JSON data
|
view as text
This file was not able to be converted.
This format is not currently supported by dexvert.
| Confidence | Program | Detection | Match Type | Support
|
|---|
| 1%
| dexvert
| Cult3D object (poly/cult3DObject)
| ext
| Unsupported |
| 100%
| file
| data
| default
| |
| 100%
| dexmagic
| PrintFox/Pagefox WEAK
| default
| |
| 100%
| gt2
| Kopftext: 'PcDNIW'
| default (weak)
|
|
hex view+--------+-------------------------+-------------------------+--------+--------+
|00000000| 50 63 44 4e 49 57 0f 00 | 0f 00 2d 00 00 00 00 00 |PcDNIW..|..-.....|
|00000010| 74 72 61 63 b4 00 00 00 | 34 80 00 00 f5 40 01 00 |trac....|4....@..|
|00000020| 33 ca ff ff 63 aa 01 00 | f4 87 00 00 31 c6 ff ff |3...c...|....1...|
|00000030| 7c 40 ff ff 59 74 00 00 | 5c d2 ff ff 77 59 ff ff ||@..Yt..|\...wY..|
|00000040| ff 19 ff ff 87 d5 ff ff | e6 98 00 00 5d 77 fe ff |........|....]w..|
|00000050| 58 d1 ff ff 91 c6 01 00 | 9e 2a ff ff c6 c9 ff ff |X.......|.*......|
|00000060| 50 df 02 00 bd 9e fe ff | 5d c6 ff ff 60 88 00 00 |P.......|]...`...|
|00000070| 67 79 02 00 d8 c6 ff ff | f3 eb fd ff 33 29 01 00 |gy......|....3)..|
|00000080| b0 d7 ff ff 08 86 02 00 | d0 0e 01 00 57 c0 ff ff |........|....W...|
|00000090| 56 7b fe ff 7e 6d fe ff | fb db ff ff 10 a4 00 00 |V{..~m..|........|
|000000a0| 36 6b fd ff 7f d4 ff ff | fc 10 fd ff 79 73 00 00 |6k......|....ys..|
|000000b0| 32 c9 ff ff d1 d6 fd ff | 80 db 01 00 46 fa fe ff |2.......|....F...|
|000000c0| e0 d0 fd ff 94 bf 01 00 | 5f c8 00 00 64 6e 6f 62 |........|_...dnob|
|000000d0| 5a 00 00 00 00 00 01 00 | 01 00 00 00 02 00 01 00 |Z.......|........|
|000000e0| 02 00 03 00 02 0d 03 00 | 04 00 01 00 04 00 05 00 |........|........|
|000000f0| 01 00 01 00 05 00 01 00 | 05 00 06 00 02 0d 04 00 |........|........|
|00000100| 0b 00 01 00 02 00 08 00 | 01 00 03 00 0a 00 01 00 |........|........|
|00000110| 00 00 07 00 02 0d 01 00 | 09 00 01 00 08 00 0d 00 |........|........|
|00000120| 01 00 08 00 0e 00 01 00 | 08 00 0c 00 01 00 62 6d |........|......bm|
|00000130| 79 73 3c 00 00 00 01 43 | 00 00 01 4e 00 00 01 43 |ys<....C|...N...C|
|00000140| 00 00 01 43 00 00 01 4e | 00 00 01 43 00 00 01 4f |...C...N|...C...O|
|00000150| 00 00 01 4f 00 00 01 43 | 00 00 01 48 00 00 01 48 |...O...C|...H...H|
|00000160| 00 00 01 48 00 00 01 48 | 00 00 01 48 00 00 01 48 |...H...H|...H...H|
|00000170| 00 00 4e 54 41 70 ad 00 | 00 00 09 00 00 00 08 00 |..NTAp..|........|
|00000180| 00 00 43 20 41 6c 6b 61 | 6e 65 01 00 00 00 08 00 |..C Alka|ne......|
|00000190| 08 00 00 00 43 20 41 6c | 6b 65 6e 65 02 00 00 00 |....C Al|kene....|
|000001a0| 02 00 03 00 0a 00 00 00 | 43 20 43 61 72 62 6f 6e |........|C Carbon|
|000001b0| 79 6c 02 00 00 00 00 00 | 05 00 01 00 00 00 48 04 |yl......|......H.|
|000001c0| 00 00 00 0a 00 0c 00 0d | 00 0e 00 07 00 00 00 48 |........|.......H|
|000001d0| 20 41 6d 69 64 65 01 00 | 00 00 09 00 07 00 00 00 | Amide..|........|
|000001e0| 48 20 41 6d 69 6e 65 01 | 00 00 00 0b 00 07 00 00 |H Amine.|........|
|000001f0| 00 4e 20 41 6d 69 64 65 | 01 00 00 00 01 00 09 00 |.N Amide|........|
|00000200| 00 00 4e 20 45 6e 61 6d | 69 6e 65 01 00 00 00 04 |..N Enam|ine.....|
|00000210| 00 0a 00 00 00 4f 20 43 | 61 72 62 6f 6e 79 6c 02 |.....O C|arbonyl.|
|00000220| 00 00 00 06 00 07 00 bf | 23 72 53 70 1e 00 00 00 |........|#rSp....|
|00000230| 01 00 02 00 03 00 04 00 | 05 00 06 00 07 00 08 00 |........|........|
|00000240| 09 00 0c 00 0a 00 0b 00 | 0f 00 10 00 11 00 54 4e |........|......TN|
|00000250| 49 70 4a 01 00 00 00 00 | fe ff fe ff fe ff 00 00 |IpJ.....|........|
|00000260| 00 00 00 00 00 00 00 00 | 00 00 00 00 01 00 00 00 |........|........|
|00000270| fe ff fe ff 00 00 ee 5e | 01 00 00 00 00 00 00 00 |.......^|........|
|00000280| 00 00 02 00 00 00 01 00 | fe ff 00 00 ae 7b 01 00 |........|.....{..|
|00000290| 9c 92 73 00 00 00 00 00 | 03 00 02 00 00 00 01 00 |..s.....|........|
|000002a0| 00 00 42 5b 01 00 82 7f | 76 00 cb 10 00 00 04 00 |..B[....|v.......|
|000002b0| 03 00 02 00 00 00 00 00 | 7a 66 01 00 95 18 79 00 |........|zf....y.|
|000002c0| 10 05 00 00 05 00 01 00 | 00 00 02 00 00 00 7f 5e |........|.......^|
|000002d0| 01 00 df 69 7e 00 7d d7 | ff ff 08 00 02 00 00 00 |...i~.}.|........|
|000002e0| 03 00 ff ff 9f 81 01 00 | e8 6a 77 00 8b 15 7a 00 |........|.jw...z.|
|000002f0| 0a 00 03 00 02 00 04 00 | ff ff 53 19 01 00 d8 b5 |........|..S.....|
|00000300| 7b 00 8a 31 73 00 06 00 | 05 00 01 00 04 00 01 00 |{..1s...|........|
|00000310| af 39 01 00 bf 15 79 00 | ce cc 7a 00 07 00 00 00 |.9....y.|..z.....|
|00000320| 01 00 02 00 01 00 93 38 | 01 00 53 4e 78 00 0f 1f |.......8|..SNx...|
|00000330| 7c 00 0b 00 04 00 03 00 | 05 00 ff ff 66 0c 01 00 ||.......|....f...|
|00000340| 0d 5a 77 00 fd 57 76 00 | 09 00 01 00 00 00 05 00 |.Zw..Wv.|........|
|00000350| 01 00 cf 01 01 00 c0 a4 | 74 00 5e f1 74 00 0c 00 |........|t.^.t...|
|00000360| 08 00 02 00 00 00 00 00 | eb 1c 01 00 73 42 70 00 |........|....sBp.|
|00000370| 8d 8e af 00 0d 00 08 00 | 02 00 0c 00 01 00 10 1d |........|........|
|00000380| 01 00 51 5e 6e 00 12 9b | 6b 00 0e 00 08 00 02 00 |..Q^n...|k.......|
|00000390| 0c 00 ff ff 16 1d 01 00 | 09 0e 6e 00 36 d8 6b 00 |........|..n.6.k.|
|000003a0| 52 53 4d 63 b6 01 00 00 | 50 69 44 4e 49 57 52 53 |RSMc....|PiDNIWRS|
|000003b0| 4d 63 04 00 53 4d 41 70 | 49 41 4d 74 05 00 00 00 |Mc..SMAp|IAMt....|
|000003c0| 41 74 6f 6d 73 00 00 00 | 00 00 00 00 00 14 00 8c |Atoms...|........|
|000003d0| 00 fe 00 01 43 42 41 4c | 05 00 00 00 41 74 6f 6d |....CBAL|....Atom|
|000003e0| 73 00 00 00 00 00 00 74 | 63 41 70 23 58 54 74 12 |s......t|cAp#XTt.|
|000003f0| 00 00 00 41 63 74 75 61 | 6c 20 4d 65 61 73 75 72 |...Actua|l Measur|
|00000400| 65 6d 65 6e 74 12 00 00 | 00 00 00 01 00 43 52 50 |ement...|.....CRP|
|00000410| 70 72 6f 68 73 02 00 00 | 00 03 00 00 00 92 00 14 |prohs...|........|
|00000420| 00 c8 00 ff 01 01 43 42 | 41 4c 06 00 00 00 41 63 |......CB|AL....Ac|
|00000430| 74 75 61 6c 00 00 00 00 | 00 00 74 70 4f 70 23 58 |tual....|..tpOp#X|
|00000440| 54 74 13 00 00 00 4f 70 | 74 69 6d 61 6c 20 4d 65 |Tt....Op|timal Me|
|00000450| 61 73 75 72 65 6d 65 6e | 74 12 00 00 00 00 00 01 |asuremen|t.......|
|00000460| 00 43 52 50 70 72 6f 68 | 73 02 00 00 00 03 00 00 |.CRPproh|s.......|
|00000470| 00 ce 00 14 00 04 01 ff | 01 00 43 42 41 4c 07 00 |........|..CBAL..|
|00000480| 00 00 4f 70 74 69 6d 61 | 6c 00 00 00 00 00 00 4c |..Optima|l......L|
|00000490| 55 51 70 54 4c 51 74 07 | 00 00 00 51 75 61 6c 69 |UQpTLQt.|...Quali|
|000004a0| 74 79 00 00 00 00 00 00 | 04 01 14 00 04 01 ff 00 |ty......|........|
|000004b0| 00 43 42 41 4c 07 00 00 | 00 51 75 61 6c 69 74 79 |.CBAL...|.Quality|
|000004c0| 00 00 00 00 00 00 0b 00 | 00 00 4d 65 61 73 75 72 |........|..Measur|
|000004d0| 65 6d 65 6e 74 0c 00 00 | 00 4d 65 61 73 75 72 65 |ement...|.Measure|
|000004e0| 6d 65 6e 74 73 00 00 00 | 00 01 00 00 00 00 00 00 |ments...|........|
|000004f0| 00 25 00 00 00 01 01 00 | 64 00 fd ff 02 00 04 31 |.%......|d......1|
|00000500| 14 00 01 00 ff ff 01 00 | ff ff 00 00 00 00 00 00 |........|........|
|00000510| 00 00 00 00 00 00 00 00 | 00 00 ff ff ff ff ff ff |........|........|
|00000520| ff ff 00 00 00 00 01 00 | 00 00 57 45 56 63 57 45 |........|..WEVcWE|
|00000530| 56 63 28 00 00 00 01 00 | 00 00 20 00 00 00 03 00 |Vc(.....|.. .....|
|00000540| 73 6f 70 70 04 00 00 00 | 00 00 00 00 53 54 45 70 |sopp....|....STEp|
|00000550| 01 00 00 00 00 56 4e 46 | 70 01 00 00 00 01 47 53 |.....VNF|p.....GS|
|00000560| 4d 63 82 0a 00 00 50 69 | 44 4e 49 57 47 53 4d 63 |Mc....Pi|DNIWGSMc|
|00000570| 02 00 47 53 4d 70 54 58 | 45 54 07 00 00 00 4d 65 |..GSMpTX|ET....Me|
|00000580| 73 73 61 67 65 00 00 00 | 00 00 00 00 00 14 00 20 |ssage...|....... |
|00000590| 03 fe 00 00 43 42 41 4c | 07 00 00 00 4d 65 73 73 |....CBAL|....Mess|
|000005a0| 61 67 65 00 00 00 00 00 | 00 53 4d 41 70 49 41 4d |age.....|.SMApIAM|
|000005b0| 74 05 00 00 00 41 74 6f | 6d 73 00 00 00 00 00 00 |t....Ato|ms......|
|000005c0| 26 03 14 00 5c 03 fe 00 | 00 43 42 41 4c 05 00 00 |&...\...|.CBAL...|
|000005d0| 00 41 74 6f 6d 73 00 00 | 00 00 00 00 07 00 00 00 |.Atoms..|........|
|000005e0| 4d 65 73 73 61 67 65 08 | 00 00 00 4d 65 73 73 61 |Message.|...Messa|
|000005f0| 67 65 73 30 00 00 00 31 | 00 00 00 00 00 00 00 3f |ges0...1|.......?|
|00000600| 00 00 00 8a 00 00 00 15 | 01 00 00 47 01 00 00 79 |........|...G...y|
|00000610| 01 00 00 ab 01 00 00 dd | 01 00 00 0f 02 00 00 41 |........|.......A|
|00000620| 02 00 00 73 02 00 00 a5 | 02 00 00 dd 02 00 00 0b |...s....|........|
|00000630| 03 00 00 65 03 00 00 7d | 03 00 00 a5 03 00 00 ce |...e...}|........|
|00000640| 03 00 00 f7 03 00 00 20 | 04 00 00 49 04 00 00 72 |....... |...I...r|
|00000650| 04 00 00 9b 04 00 00 c4 | 04 00 00 ed 04 00 00 16 |........|........|
|00000660| 05 00 00 40 05 00 00 6a | 05 00 00 94 05 00 00 be |...@...j|........|
|00000670| 05 00 00 e8 05 00 00 12 | 06 00 00 2a 06 00 00 49 |........|...*...I|
|00000680| 06 00 00 72 06 00 00 9c | 06 00 00 c6 06 00 00 ef |...r....|........|
|00000690| 06 00 00 19 07 00 00 42 | 07 00 00 6c 07 00 00 96 |.......B|...l....|
|000006a0| 07 00 00 c0 07 00 00 ea | 07 00 00 14 08 00 00 3e |........|.......>|
|000006b0| 08 00 00 68 08 00 00 92 | 08 00 00 bc 08 00 00 02 |...h....|........|
|000006c0| 00 27 00 00 00 50 69 20 | 53 79 73 74 65 6d 3a 20 |.'...Pi |System: |
|000006d0| 20 20 20 37 20 20 20 36 | 20 20 20 35 20 20 20 34 | 7 6| 5 4|
|000006e0| 20 20 20 33 20 20 20 31 | 20 20 20 38 00 00 00 00 | 3 1| 8....|
|000006f0| 00 00 00 00 00 00 01 00 | 09 00 01 00 00 00 02 00 |........|........|
|00000700| 33 00 00 00 57 61 72 6e | 69 6e 67 3a 20 53 6f 6d |3...Warn|ing: Som|
|00000710| 65 20 70 61 72 61 6d 65 | 74 65 72 73 20 61 72 65 |e parame|ters are|
|00000720| 20 67 75 65 73 73 65 64 | 20 28 51 75 61 6c 69 74 | guessed| (Qualit|
|00000730| 79 20 3d 20 31 29 2e 00 | 00 00 00 00 00 00 00 01 |y = 1)..|........|
|00000740| 00 02 00 09 00 02 00 00 | 00 02 00 73 00 00 00 20 |........|...s... |
|00000750| 20 49 74 65 72 61 74 69 | 6f 6e 20 20 20 35 30 3a | Iterati|on 50:|
|00000760| 20 4d 69 6e 69 6d 69 7a | 61 74 69 6f 6e 20 74 65 | Minimiz|ation te|
|00000770| 72 6d 69 6e 61 74 65 64 | 20 6e 6f 72 6d 61 6c 6c |rminated| normall|
|00000780| 79 20 62 65 63 61 75 73 | 65 20 74 68 65 20 67 72 |y becaus|e the gr|
|00000790| 61 64 69 65 6e 74 20 6e | 6f 72 6d 20 69 73 20 6c |adient n|orm is l|
|000007a0| 65 73 73 20 74 68 61 6e | 20 74 68 65 20 6d 69 6e |ess than| the min|
|000007b0| 69 6d 75 6d 20 67 72 61 | 64 69 65 6e 74 20 6e 6f |imum gra|dient no|
|000007c0| 72 6d 00 00 00 00 00 00 | 00 00 02 00 03 00 09 00 |rm......|........|
|000007d0| 03 00 00 00 02 00 1a 00 | 00 00 20 20 53 74 72 65 |........|.. Stre|
|000007e0| 74 63 68 3a 20 20 20 20 | 20 20 20 20 20 20 30 2e |tch: | 0.|
|000007f0| 31 31 37 33 00 00 00 00 | 00 00 00 00 03 00 04 00 |1173....|........|
|00000800| 09 00 04 00 00 00 02 00 | 1a 00 00 00 20 20 42 65 |........|.... Be|
|00000810| 6e 64 3a 20 20 20 20 20 | 20 20 20 20 20 20 20 20 |nd: | |
|00000820| 30 2e 37 35 33 33 00 00 | 00 00 00 00 00 00 04 00 |0.7533..|........|
|00000830| 05 00 09 00 05 00 00 00 | 02 00 1a 00 00 00 20 20 |........|...... |
|00000840| 53 74 72 65 74 63 68 2d | 42 65 6e 64 3a 20 20 20 |Stretch-|Bend: |
|00000850| 20 20 30 2e 30 34 30 38 | 00 00 00 00 00 00 00 00 | 0.0408|........|
|00000860| 05 00 06 00 09 00 06 00 | 00 00 02 00 1a 00 00 00 |........|........|
|00000870| 20 20 54 6f 72 73 69 6f | 6e 3a 20 20 20 20 20 20 | Torsio|n: |
|00000880| 20 20 20 2d 30 2e 35 34 | 31 35 00 00 00 00 00 00 | -0.54|15......|
|00000890| 00 00 06 00 07 00 09 00 | 07 00 00 00 02 00 1a 00 |........|........|
|000008a0| 00 00 20 20 4e 6f 6e 2d | 31 2c 34 20 56 44 57 3a |.. Non-|1,4 VDW:|
|000008b0| 20 20 20 20 20 2d 30 2e | 36 37 38 39 00 00 00 00 | -0.|6789....|
|000008c0| 00 00 00 00 07 00 08 00 | 09 00 08 00 00 00 02 00 |........|........|
|000008d0| 1a 00 00 00 20 20 31 2c | 34 20 56 44 57 3a 20 20 |.... 1,|4 VDW: |
|000008e0| 20 20 20 20 20 20 20 2d | 31 2e 36 37 38 37 00 00 | -|1.6787..|
|000008f0| 00 00 00 00 00 00 08 00 | 09 00 09 00 09 00 00 00 |........|........|
|00000900| 02 00 1a 00 00 00 20 20 | 44 69 70 6f 6c 65 2f 44 |...... |Dipole/D|
|00000910| 69 70 6f 6c 65 3a 20 20 | 20 2d 31 2e 38 31 33 33 |ipole: | -1.8133|
|00000920| 00 00 00 00 00 00 00 00 | 09 00 0a 00 09 00 0a 00 |........|........|
|00000930| 00 00 02 00 1a 00 00 00 | 54 6f 74 61 6c 3a 20 20 |........|Total: |
|00000940| 20 20 20 20 20 20 20 20 | 20 20 20 2d 33 2e 38 30 | | -3.80|
|00000950| 31 30 00 00 00 00 00 00 | 00 00 0a 00 0b 00 09 00 |10......|........|
|00000960| 0b 00 00 00 02 00 20 00 | 00 00 53 43 46 20 45 6e |...... .|..SCF En|
|00000970| 65 72 67 79 3a 20 20 2d | 34 35 31 2e 32 39 36 32 |ergy: -|451.2962|
|00000980| 37 20 68 61 72 74 72 65 | 65 73 00 00 00 00 00 00 |7 hartre|es......|
|00000990| 00 00 0b 00 0c 00 09 00 | 0c 00 00 00 02 00 16 00 |........|........|
|000009a0| 00 00 52 4d 53 20 46 6f | 72 63 65 3a 20 20 20 20 |..RMS Fo|rce: |
|000009b0| 20 30 2e 30 31 32 37 39 | 00 00 00 00 00 00 00 00 | 0.01279|........|
|000009c0| 0c 00 0d 00 09 00 0d 00 | 00 00 02 00 42 00 00 00 |........|....B...|
|000009d0| 44 69 70 6f 6c 65 3a 20 | 20 20 20 20 2d 30 2e 35 |Dipole: | -0.5|
|000009e0| 36 38 20 20 20 20 2d 32 | 2e 30 32 30 20 20 20 20 |68 -2|.020 |
|000009f0| 2d 30 2e 30 30 31 20 4d | 61 67 6e 69 74 75 64 65 |-0.001 M|agnitude|
|00000a00| 3a 20 20 20 20 20 20 32 | 2e 30 39 38 20 44 65 62 |: 2|.098 Deb|
|00000a10| 79 65 00 00 00 00 00 00 | 00 00 0d 00 0e 00 09 00 |ye......|........|
|00000a20| 0e 00 00 00 02 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a30| 00 00 0e 00 0f 00 09 00 | 0f 00 00 00 02 00 10 00 |........|........|
|00000a40| 00 00 45 6c 65 63 74 72 | 6f 6e 20 44 65 6e 73 69 |..Electr|on Densi|
|00000a50| 74 79 00 00 00 00 00 00 | 00 00 0f 00 10 00 09 00 |ty......|........|
|00000a60| 10 00 00 00 02 00 0d 00 | 00 00 43 28 31 29 20 20 |........|..C(1) |
|00000a70| 34 2e 30 39 30 33 33 00 | 00 04 00 00 00 00 00 00 |4.09033.|........|
|00000a80| 00 00 00 10 00 11 00 09 | 00 11 00 00 00 02 00 0d |........|........|
|00000a90| 00 00 00 4e 28 32 29 20 | 20 36 2e 32 37 39 31 34 |...N(2) | 6.27914|
|00000aa0| 00 00 04 00 00 00 01 00 | 00 00 00 00 11 00 12 00 |........|........|
|00000ab0| 09 00 12 00 00 00 02 00 | 0d 00 00 00 43 28 33 29 |........|....C(3)|
|00000ac0| 20 20 34 2e 35 37 32 37 | 37 00 00 04 00 00 00 02 | 4.5727|7.......|
|00000ad0| 00 00 00 00 00 12 00 13 | 00 09 00 13 00 00 00 02 |........|........|
|00000ae0| 00 0d 00 00 00 43 28 34 | 29 20 20 34 2e 30 36 36 |.....C(4|) 4.066|
|00000af0| 34 36 00 00 04 00 00 00 | 03 00 00 00 00 00 13 00 |46......|........|
|00000b00| 14 00 09 00 14 00 00 00 | 02 00 0d 00 00 00 4e 28 |........|......N(|
|00000b10| 35 29 20 20 35 2e 39 38 | 31 30 37 00 00 04 00 00 |5) 5.98|107.....|
|00000b20| 00 04 00 00 00 00 00 14 | 00 15 00 09 00 15 00 00 |........|........|
|00000b30| 00 02 00 0d 00 00 00 43 | 28 36 29 20 20 34 2e 30 |.......C|(6) 4.0|
|00000b40| 32 38 31 34 00 00 04 00 | 00 00 05 00 00 00 00 00 |2814....|........|
|00000b50| 15 00 16 00 09 00 16 00 | 00 00 02 00 0d 00 00 00 |........|........|
|00000b60| 4f 28 37 29 20 20 36 2e | 31 34 39 35 30 00 00 04 |O(7) 6.|14950...|
|00000b70| 00 00 00 06 00 00 00 00 | 00 16 00 17 00 09 00 17 |........|........|
|00000b80| 00 00 00 02 00 0d 00 00 | 00 4f 28 38 29 20 20 36 |........|.O(8) 6|
|00000b90| 2e 31 35 32 38 35 00 00 | 04 00 00 00 07 00 00 00 |.15285..|........|
|00000ba0| 00 00 17 00 18 00 09 00 | 18 00 00 00 02 00 0d 00 |........|........|
|00000bb0| 00 00 43 28 39 29 20 20 | 34 2e 31 30 35 37 33 00 |..C(9) |4.10573.|
|00000bc0| 00 04 00 00 00 08 00 00 | 00 00 00 18 00 19 00 09 |........|........|
|00000bd0| 00 19 00 00 00 02 00 0e | 00 00 00 48 28 31 32 29 |........|...H(12)|
|00000be0| 20 20 30 2e 32 30 39 38 | 31 00 00 04 00 00 00 09 | 0.2098|1.......|
|00000bf0| 00 00 00 00 00 19 00 1a | 00 09 00 1a 00 00 00 02 |........|........|
|00000c00| 00 0e 00 00 00 48 28 31 | 30 29 20 20 30 2e 32 37 |.....H(1|0) 0.27|
|00000c10| 31 37 37 00 00 04 00 00 | 00 0a 00 00 00 00 00 1a |177.....|........|
|00000c20| 00 1b 00 09 00 1b 00 00 | 00 02 00 0e 00 00 00 48 |........|.......H|
|00000c30| 28 31 31 29 20 20 30 2e | 32 30 34 31 38 00 00 04 |(11) 0.|20418...|
|00000c40| 00 00 00 0b 00 00 00 00 | 00 1b 00 1c 00 09 00 1c |........|........|
|00000c50| 00 00 00 02 00 0e 00 00 | 00 48 28 31 35 29 20 20 |........|.H(15) |
|00000c60| 30 2e 33 34 35 38 31 00 | 00 04 00 00 00 0c 00 00 |0.34581.|........|
|00000c70| 00 00 00 1c 00 1d 00 09 | 00 1d 00 00 00 02 00 0e |........|........|
|00000c80| 00 00 00 48 28 31 36 29 | 20 20 30 2e 33 32 34 30 |...H(16)| 0.3240|
|00000c90| 30 00 00 04 00 00 00 0d | 00 00 00 00 00 1d 00 1e |0.......|........|
|00000ca0| 00 09 00 1e 00 00 00 02 | 00 0e 00 00 00 48 28 31 |........|.....H(1|
|00000cb0| 37 29 20 20 30 2e 33 32 | 37 38 34 00 00 04 00 00 |7) 0.32|784.....|
|00000cc0| 00 0e 00 00 00 00 00 1e | 00 1f 00 09 00 1f 00 00 |........|........|
|00000cd0| 00 02 00 00 00 00 00 00 | 00 00 00 00 00 00 00 1f |........|........|
|00000ce0| 00 20 00 09 00 20 00 00 | 00 02 00 07 00 00 00 43 |. ... ..|.......C|
|00000cf0| 68 61 72 67 65 73 00 00 | 00 00 00 00 00 00 20 00 |harges..|...... .|
|00000d00| 21 00 09 00 21 00 00 00 | 02 00 0d 00 00 00 43 28 |!...!...|......C(|
|00000d10| 31 29 20 20 30 2e 38 31 | 31 35 33 00 00 04 00 00 |1) 0.81|153.....|
|00000d20| 00 00 00 00 00 00 00 21 | 00 22 00 09 00 22 00 00 |.......!|."..."..|
|00000d30| 00 02 00 0e 00 00 00 4e | 28 32 29 20 20 2d 31 2e |.......N|(2) -1.|
|00000d40| 30 30 33 34 38 00 00 04 | 00 00 00 01 00 00 00 00 |00348...|........|
|00000d50| 00 22 00 23 00 09 00 23 | 00 00 00 02 00 0e 00 00 |.".#...#|........|
|00000d60| 00 43 28 33 29 20 20 2d | 30 2e 31 37 33 34 33 00 |.C(3) -|0.17343.|
|00000d70| 00 04 00 00 00 02 00 00 | 00 00 00 23 00 24 00 09 |........|...#.$..|
|00000d80| 00 24 00 00 00 02 00 0d | 00 00 00 43 28 34 29 20 |.$......|...C(4) |
|00000d90| 20 30 2e 32 31 35 31 37 | 00 00 04 00 00 00 03 00 | 0.21517|........|
|00000da0| 00 00 00 00 24 00 25 00 | 09 00 25 00 00 00 02 00 |....$.%.|..%.....|
|00000db0| 0e 00 00 00 4e 28 35 29 | 20 20 2d 30 2e 39 39 30 |....N(5)| -0.990|
|00000dc0| 37 33 00 00 04 00 00 00 | 04 00 00 00 00 00 25 00 |73......|......%.|
|00000dd0| 26 00 09 00 26 00 00 00 | 02 00 0d 00 00 00 43 28 |&...&...|......C(|
|00000de0| 36 29 20 20 31 2e 30 37 | 35 38 36 00 00 04 00 00 |6) 1.07|586.....|
|00000df0| 00 05 00 00 00 00 00 26 | 00 27 00 09 00 27 00 00 |.......&|.'...'..|
|00000e00| 00 02 00 0e 00 00 00 4f | 28 37 29 20 20 2d 30 2e |.......O|(7) -0.|
|00000e10| 35 38 36 33 34 00 00 04 | 00 00 00 06 00 00 00 00 |58634...|........|
|00000e20| 00 27 00 28 00 09 00 28 | 00 00 00 02 00 0e 00 00 |.'.(...(|........|
|00000e30| 00 4f 28 38 29 20 20 2d | 30 2e 35 37 33 30 35 00 |.O(8) -|0.57305.|
|00000e40| 00 04 00 00 00 07 00 00 | 00 00 00 28 00 29 00 09 |........|...(.)..|
|00000e50| 00 29 00 00 00 02 00 0e | 00 00 00 43 28 39 29 20 |.)......|...C(9) |
|00000e60| 20 2d 30 2e 34 34 34 36 | 35 00 00 04 00 00 00 08 | -0.4446|5.......|
|00000e70| 00 00 00 00 00 29 00 2a | 00 09 00 2a 00 00 00 02 |.....).*|...*....|
|00000e80| 00 0e 00 00 00 48 28 31 | 32 29 20 20 30 2e 34 33 |.....H(1|2) 0.43|
|00000e90| 37 39 31 00 00 04 00 00 | 00 09 00 00 00 00 00 2a |791.....|.......*|
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|00001210| 00 20 c4 3a 07 c0 00 00 | 00 a0 27 73 fc bf 00 00 |. .:....|..'s....|
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|00001260| 79 6d 69 6e 65 20 20 20 | 20 20 20 20 20 20 20 20 |ymine | |
|00001270| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001280| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001290| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|000012a0| 20 20 20 20 20 20 0d 0a | 46 6f 72 63 65 20 20 20 | ..|Force |
|000012b0| 20 20 52 48 46 20 20 20 | 20 20 20 20 20 20 20 20 | RHF | |
|000012c0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|000012d0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|000012e0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 36 2d | | 6-|
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|00001310| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001320| 49 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 |I | |
|00001330| 31 35 0d 0a 43 68 61 72 | 67 65 20 20 20 20 20 20 |15..Char|ge |
|00001340| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001350| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 49 | | I|
|00001360| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001370| 30 0d 0a 4d 75 6c 74 69 | 70 6c 69 63 69 74 79 20 |0..Multi|plicity |
|00001380| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001390| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 49 20 | | I |
|000013a0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 31 | | 1|
|000013b0| 0d 0a 4e 75 6d 62 65 72 | 20 6f 66 20 65 6c 65 63 |..Number| of elec|
|000013c0| 74 72 6f 6e 73 20 20 20 | 20 20 20 20 20 20 20 20 |trons | |
|000013d0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 49 20 20 | | I |
|000013e0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 36 36 0d | | 66.|
|000013f0| 0a 4e 75 6d 62 65 72 20 | 6f 66 20 61 6c 70 68 61 |.Number |of alpha|
|00001400| 20 65 6c 65 63 74 72 6f | 6e 73 20 20 20 20 20 20 | electro|ns |
|00001410| 20 20 20 20 20 20 20 20 | 20 20 20 20 49 20 20 20 | | I |
|00001420| 20 20 20 20 20 20 20 20 | 20 20 20 20 33 33 0d 0a | | 33..|
|00001430| 4e 75 6d 62 65 72 20 6f | 66 20 62 65 74 61 20 65 |Number o|f beta e|
|00001440| 6c 65 63 74 72 6f 6e 73 | 20 20 20 20 20 20 20 20 |lectrons| |
|00001450| 20 20 20 20 20 20 20 20 | 20 20 20 49 20 20 20 20 | | I |
|00001460| 20 20 20 20 20 20 20 20 | 20 20 20 33 33 0d 0a 4e | | 33..N|
|00001470| 75 6d 62 65 72 20 6f 66 | 20 62 61 73 69 73 20 66 |umber of| basis f|
|00001480| 75 6e 63 74 69 6f 6e 73 | 20 20 20 20 20 20 20 20 |unctions| |
|00001490| 20 20 20 20 20 20 20 20 | 20 20 49 20 20 20 20 20 | | I |
|000014a0| 20 20 20 20 20 20 20 20 | 20 20 39 33 0d 0a 4e 75 | | 93..Nu|
|000014b0| 6d 62 65 72 20 6f 66 20 | 69 6e 64 65 70 65 6e 64 |mber of |independ|
|000014c0| 61 6e 74 20 66 75 6e 63 | 74 69 6f 6e 73 20 20 20 |ant func|tions |
|000014d0| 20 20 20 20 20 20 20 20 | 20 49 20 20 20 20 20 20 | | I |
|000014e0| 20 20 20 20 20 20 20 20 | 20 39 33 0d 0a 4e 75 6d | | 93..Num|
|000014f0| 62 65 72 20 6f 66 20 63 | 6f 6e 74 72 61 63 74 65 |ber of c|ontracte|
|00001500| 64 20 73 68 65 6c 6c 73 | 20 20 20 20 20 20 20 20 |d shells| |
|00001510| 20 20 20 20 20 20 20 20 | 49 20 20 20 20 20 20 20 | |I |
|00001520| 20 20 20 20 20 20 20 20 | 33 39 0d 0a 48 69 67 68 | |39..High|
|00001530| 65 73 74 20 61 6e 67 75 | 6c 61 72 20 6d 6f 6d 65 |est angu|lar mome|
|00001540| 6e 74 75 6d 20 20 20 20 | 20 20 20 20 20 20 20 20 |ntum | |
|00001550| 20 20 20 20 20 20 20 49 | 20 20 20 20 20 20 20 20 | I| |
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|00001570| 73 74 20 64 65 67 72 65 | 65 20 6f 66 20 63 6f 6e |st degre|e of con|
|00001580| 74 72 61 63 74 69 6f 6e | 20 20 20 20 20 20 20 20 |traction| |
|00001590| 20 20 20 20 20 20 49 20 | 20 20 20 20 20 20 20 20 | I | |
|000015a0| 20 20 20 20 20 20 20 36 | 0d 0a 4e 75 6d 62 65 72 | 6|..Number|
|000015b0| 20 6f 66 20 70 72 69 6d | 69 74 69 76 65 20 73 68 | of prim|itive sh|
|000015c0| 65 6c 6c 73 20 20 20 20 | 20 20 20 20 20 20 20 20 |ells | |
|000015d0| 20 20 20 20 20 49 20 20 | 20 20 20 20 20 20 20 20 | I | |
|000015e0| 20 20 20 20 31 31 34 0d | 0a 56 69 72 69 72 61 6c | 114.|.Viriral|
|000015f0| 20 52 61 74 69 6f 20 20 | 20 20 20 20 20 20 20 20 | Ratio | |
|00001600| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001610| 20 20 20 20 52 20 20 20 | 20 20 20 32 2e 30 30 30 | R | 2.000|
|00001620| 34 30 37 38 33 36 34 32 | 36 39 36 33 45 2b 30 30 |40783642|6963E+00|
|00001630| 0d 0a 53 43 46 20 45 6e | 65 72 67 79 20 20 20 20 |..SCF En|ergy |
|00001640| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001650| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 52 20 20 | | R |
|00001660| 20 20 20 2d 34 2e 35 31 | 32 39 36 32 36 35 32 35 | -4.51|29626525|
|00001670| 39 34 36 34 31 45 2b 30 | 32 0d 0a 54 6f 74 61 6c |94641E+0|2..Total|
|00001680| 20 45 6e 65 72 67 79 20 | 20 20 20 20 20 20 20 20 | Energy | |
|00001690| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|000016a0| 20 20 20 20 20 20 52 20 | 20 20 20 20 2d 34 2e 35 | R | -4.5|
|000016b0| 31 32 39 36 32 36 35 32 | 35 39 34 36 34 31 45 2b |12962652|594641E+|
|000016c0| 30 32 0d 0a 52 4d 53 20 | 46 6f 72 63 65 20 20 20 |02..RMS |Force |
|000016d0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|000016e0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 52 | | R|
|000016f0| 20 20 20 20 20 20 31 2e | 32 37 38 35 38 37 31 32 | 1.|27858712|
|00001700| 38 35 38 36 38 31 39 45 | 2d 30 32 0d 0a 52 4d 53 |8586819E|-02..RMS|
|00001710| 20 44 65 6e 73 69 74 79 | 20 20 20 20 20 20 20 20 | Density| |
|00001720| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001730| 20 20 20 20 20 20 20 20 | 52 20 20 20 20 20 20 32 | |R 2|
|00001740| 2e 33 38 35 36 30 36 35 | 31 37 35 37 34 37 36 31 |.3856065|17574761|
|00001750| 45 2d 30 39 0d 0a 41 74 | 6f 6d 69 63 20 6e 75 6d |E-09..At|omic num|
|00001760| 62 65 72 73 20 20 20 20 | 20 20 20 20 20 20 20 20 |bers | |
|00001770| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001780| 20 49 20 20 20 4e 3d 20 | 20 20 20 20 20 20 20 20 | I N= | |
|00001790| 20 31 35 0d 0a 20 20 20 | 20 20 20 20 20 20 20 20 | 15.. | |
|000017a0| 36 20 20 20 20 20 20 20 | 20 20 20 20 37 20 20 20 |6 | 7 |
|000017b0| 20 20 20 20 20 20 20 20 | 36 20 20 20 20 20 20 20 | |6 |
|000017c0| 20 20 20 20 36 20 20 20 | 20 20 20 20 20 20 20 20 | 6 | |
|000017d0| 37 20 20 20 20 20 20 20 | 20 20 20 20 36 0d 0a 20 |7 | 6.. |
|000017e0| 20 20 20 20 20 20 20 20 | 20 20 38 20 20 20 20 20 | | 8 |
|000017f0| 20 20 20 20 20 20 38 20 | 20 20 20 20 20 20 20 20 | 8 | |
|00001800| 20 20 36 20 20 20 20 20 | 20 20 20 20 20 20 31 20 | 6 | 1 |
|00001810| 20 20 20 20 20 20 20 20 | 20 20 31 20 20 20 20 20 | | 1 |
|00001820| 20 20 20 20 20 20 31 0d | 0a 20 20 20 20 20 20 20 | 1.|. |
|00001830| 20 20 20 20 31 20 20 20 | 20 20 20 20 20 20 20 20 | 1 | |
|00001840| 31 20 20 20 20 20 20 20 | 20 20 20 20 31 0d 0a 4e |1 | 1..N|
|00001850| 75 63 6c 65 61 72 20 63 | 68 61 72 67 65 73 20 20 |uclear c|harges |
|00001860| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001870| 20 20 20 20 20 20 20 20 | 20 20 52 20 20 20 4e 3d | | R N=|
|00001880| 20 20 20 20 20 20 20 20 | 20 20 31 35 0d 0a 20 20 | | 15.. |
|00001890| 36 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 20 20 |6.000000|00E+00 |
|000018a0| 37 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 20 20 |7.000000|00E+00 |
|000018b0| 36 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 20 20 |6.000000|00E+00 |
|000018c0| 36 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 20 20 |6.000000|00E+00 |
|000018d0| 37 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 0d 0a |7.000000|00E+00..|
|000018e0| 20 20 36 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 6.0000|0000E+00|
|000018f0| 20 20 38 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 8.0000|0000E+00|
|00001900| 20 20 38 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 8.0000|0000E+00|
|00001910| 20 20 36 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 6.0000|0000E+00|
|00001920| 20 20 31 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 1.0000|0000E+00|
|00001930| 0d 0a 20 20 31 2e 30 30 | 30 30 30 30 30 30 45 2b |.. 1.00|000000E+|
|00001940| 30 30 20 20 31 2e 30 30 | 30 30 30 30 30 30 45 2b |00 1.00|000000E+|
|00001950| 30 30 20 20 31 2e 30 30 | 30 30 30 30 30 30 45 2b |00 1.00|000000E+|
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|000019a0| 73 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 52 |s | R|
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|000019d0| 2b 30 30 20 20 31 2e 37 | 33 30 31 38 38 39 38 45 |+00 1.7|3018898E|
|000019e0| 2b 30 30 20 2d 38 2e 34 | 37 34 36 31 34 39 38 45 |+00 -8.4|7461498E|
|000019f0| 2d 30 34 20 20 31 2e 33 | 39 33 39 36 38 32 35 45 |-04 1.3|9396825E|
|00001a00| 2b 30 30 20 20 31 2e 39 | 34 39 32 36 31 33 37 45 |+00 1.9|4926137E|
|00001a10| 2b 30 30 0d 0a 20 2d 32 | 2e 37 31 38 33 39 39 31 |+00.. -2|.7183991|
|00001a20| 30 45 2d 30 33 20 2d 32 | 2e 31 37 38 38 39 37 30 |0E-03 -2|.1788970|
|00001a30| 37 45 2b 30 30 20 2d 38 | 2e 39 31 32 30 38 34 32 |7E+00 -8|.9120842|
|00001a40| 33 45 2d 30 31 20 2d 32 | 2e 33 38 34 31 38 37 30 |3E-01 -2|.3841870|
|00001a50| 32 45 2d 30 33 20 2d 35 | 2e 30 34 35 38 39 33 37 |2E-03 -5|.0458937|
|00001a60| 35 45 2d 30 31 0d 0a 20 | 2d 32 2e 38 33 32 32 35 |5E-01.. |-2.83225|
|00001a70| 33 31 34 45 2b 30 30 20 | 2d 32 2e 39 30 36 39 38 |314E+00 |-2.90698|
|00001a80| 38 39 38 45 2d 30 33 20 | 20 32 2e 31 30 33 38 39 |898E-03 | 2.10389|
|00001a90| 30 30 36 45 2b 30 30 20 | 2d 32 2e 33 38 37 31 31 |006E+00 |-2.38711|
|00001aa0| 31 31 39 45 2b 30 30 20 | 2d 31 2e 32 37 32 33 36 |119E+00 |-1.27236|
|00001ab0| 31 39 37 45 2d 30 33 0d | 0a 20 20 33 2e 31 30 30 |197E-03.|. 3.100|
|00001ac0| 33 39 33 39 36 45 2b 30 | 30 20 20 34 2e 34 37 32 |39396E+0|0 4.472|
|00001ad0| 31 37 32 39 36 45 2d 30 | 33 20 2d 36 2e 33 39 36 |17296E-0|3 -6.396|
|00001ae0| 33 30 30 30 34 45 2d 30 | 35 20 20 35 2e 33 37 39 |30004E-0|5 5.379|
|00001af0| 34 39 36 31 39 45 2b 30 | 30 20 20 34 2e 31 33 37 |49619E+0|0 4.137|
|00001b00| 32 33 34 37 32 45 2d 30 | 31 0d 0a 20 20 33 2e 36 |23472E-0|1.. 3.6|
|00001b10| 35 37 37 37 33 38 33 45 | 2d 30 33 20 2d 32 2e 35 |5777383E|-03 -2.5|
|00001b20| 31 35 38 35 37 39 39 45 | 2b 30 30 20 20 33 2e 36 |1585799E|+00 3.6|
|00001b30| 31 36 36 33 34 36 39 45 | 2b 30 30 20 20 33 2e 37 |1663469E|+00 3.7|
|00001b40| 39 31 31 37 30 35 39 45 | 2d 30 34 20 2d 34 2e 39 |9117059E|-04 -4.9|
|00001b50| 39 32 37 33 38 36 33 45 | 2b 30 30 0d 0a 20 2d 31 |9273863E|+00.. -1|
|00001b60| 2e 33 32 31 35 39 35 35 | 37 45 2b 30 30 20 20 32 |.3215955|7E+00 2|
|00001b70| 2e 39 31 37 34 34 36 33 | 31 45 2d 30 33 20 20 32 |.9174463|1E-03 2|
|00001b80| 2e 31 30 30 34 37 31 39 | 33 45 2b 30 30 20 20 33 |.1004719|3E+00 3|
|00001b90| 2e 37 31 36 33 33 36 38 | 35 45 2b 30 30 20 2d 33 |.7163368|5E+00 -3|
|00001ba0| 2e 39 36 31 36 32 36 31 | 39 45 2d 30 33 0d 0a 20 |.9616261|9E-03.. |
|00001bb0| 2d 31 2e 30 35 39 38 37 | 36 31 37 45 2b 30 30 20 |-1.05987|617E+00 |
|00001bc0| 2d 34 2e 38 33 33 33 30 | 30 36 35 45 2b 30 30 20 |-4.83330|065E+00 |
|00001bd0| 2d 36 2e 30 39 38 31 30 | 33 36 39 45 2d 30 34 20 |-6.09810|369E-04 |
|00001be0| 20 33 2e 33 35 31 37 30 | 39 30 36 45 2b 30 30 20 | 3.35170|906E+00 |
|00001bf0| 2d 33 2e 39 32 36 30 35 | 33 34 33 45 2b 30 30 0d |-3.92605|343E+00.|
|00001c00| 0a 20 20 32 2e 32 38 38 | 32 39 36 32 31 45 2d 30 |. 2.288|29621E-0|
|00001c10| 33 20 2d 35 2e 34 38 37 | 31 38 37 36 33 45 2b 30 |3 -5.487|18763E+0|
|00001c20| 30 20 2d 33 2e 33 36 30 | 31 34 38 38 32 45 2b 30 |0 -3.360|14882E+0|
|00001c30| 30 20 2d 31 2e 34 39 36 | 35 31 34 32 32 45 2d 30 |0 -1.496|51422E-0|
|00001c40| 31 20 2d 35 2e 38 38 38 | 39 38 37 30 33 45 2b 30 |1 -5.888|98703E+0|
|00001c50| 30 0d 0a 20 2d 33 2e 32 | 36 30 39 38 32 38 30 45 |0.. -3.2|6098280E|
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|00001c80| 2b 30 30 20 2d 35 2e 38 | 36 32 37 36 34 30 30 45 |+00 -5.8|6276400E|
|00001c90| 2d 30 31 20 20 31 2e 37 | 38 37 32 33 36 34 35 45 |-01 1.7|8723645E|
|00001ca0| 2b 30 30 0d 0a 41 74 6f | 6d 20 74 79 70 65 73 20 |+00..Ato|m types |
|00001cb0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001cc0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 20 | | |
|00001cd0| 49 20 20 20 4e 3d 20 20 | 20 20 20 20 20 20 20 20 |I N= | |
|00001ce0| 31 35 0d 0a 20 20 20 20 | 20 20 20 20 20 20 20 30 |15.. | 0|
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|00003b70| 38 32 35 33 39 34 33 36 | 45 2b 30 30 20 20 36 2e |82539436|E+00 6.|
|00003b80| 34 30 31 32 31 36 39 32 | 45 2d 30 31 20 20 31 2e |40121692|E-01 1.|
|00003b90| 36 31 32 37 37 37 35 39 | 45 2d 30 31 20 20 31 2e |61277759|E-01 1.|
|00003ba0| 38 37 33 31 31 33 37 30 | 45 2b 30 31 20 20 32 2e |87311370|E+01 2.|
|00003bb0| 38 32 35 33 39 34 33 36 | 45 2b 30 30 0d 0a 20 20 |82539436|E+00.. |
|00003bc0| 36 2e 34 30 31 32 31 36 | 39 32 45 2d 30 31 20 20 |6.401216|92E-01 |
|00003bd0| 31 2e 36 31 32 37 37 37 | 35 39 45 2d 30 31 20 20 |1.612777|59E-01 |
|00003be0| 31 2e 38 37 33 31 31 33 | 37 30 45 2b 30 31 20 20 |1.873113|70E+01 |
|00003bf0| 32 2e 38 32 35 33 39 34 | 33 36 45 2b 30 30 20 20 |2.825394|36E+00 |
|00003c00| 36 2e 34 30 31 32 31 36 | 39 32 45 2d 30 31 0d 0a |6.401216|92E-01..|
|00003c10| 20 20 31 2e 36 31 32 37 | 37 37 35 39 45 2d 30 31 | 1.6127|7759E-01|
|00003c20| 20 20 31 2e 38 37 33 31 | 31 33 37 30 45 2b 30 31 | 1.8731|1370E+01|
|00003c30| 20 20 32 2e 38 32 35 33 | 39 34 33 36 45 2b 30 30 | 2.8253|9436E+00|
|00003c40| 20 20 36 2e 34 30 31 32 | 31 36 39 32 45 2d 30 31 | 6.4012|1692E-01|
|00003c50| 20 20 31 2e 36 31 32 37 | 37 37 35 39 45 2d 30 31 | 1.6127|7759E-01|
|00003c60| 0d 0a 20 20 31 2e 38 37 | 33 31 31 33 37 30 45 2b |.. 1.87|311370E+|
|00003c70| 30 31 20 20 32 2e 38 32 | 35 33 39 34 33 36 45 2b |01 2.82|539436E+|
|00003c80| 30 30 20 20 36 2e 34 30 | 31 32 31 36 39 32 45 2d |00 6.40|121692E-|
|00003c90| 30 31 20 20 31 2e 36 31 | 32 37 37 37 35 39 45 2d |01 1.61|277759E-|
|00003ca0| 30 31 0d 0a 43 6f 6e 74 | 72 61 63 74 69 6f 6e 20 |01..Cont|raction |
|00003cb0| 63 6f 65 66 66 69 63 69 | 65 6e 74 73 20 20 20 20 |coeffici|ents |
|00003cc0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 20 20 52 | | R|
|00003cd0| 20 20 20 4e 3d 20 20 20 | 20 20 20 20 20 20 31 31 | N= | 11|
|00003ce0| 34 0d 0a 20 20 31 2e 38 | 33 34 37 33 37 31 33 45 |4.. 1.8|3473713E|
|00003cf0| 2d 30 33 20 20 31 2e 34 | 30 33 37 33 32 32 38 45 |-03 1.4|0373228E|
|00003d00| 2d 30 32 20 20 36 2e 38 | 38 34 32 36 32 32 33 45 |-02 6.8|8426223E|
|00003d10| 2d 30 32 20 20 32 2e 33 | 32 31 38 34 34 34 33 45 |-02 2.3|2184443E|
|00003d20| 2d 30 31 20 20 34 2e 36 | 37 39 34 31 33 34 38 45 |-01 4.6|7941348E|
|00003d30| 2d 30 31 0d 0a 20 20 33 | 2e 36 32 33 31 31 39 38 |-01.. 3|.6231198|
|00003d40| 35 45 2d 30 31 20 2d 31 | 2e 31 39 33 33 32 34 32 |5E-01 -1|.1933242|
|00003d50| 30 45 2d 30 31 20 2d 31 | 2e 36 30 38 35 34 31 35 |0E-01 -1|.6085415|
|00003d60| 32 45 2d 30 31 20 20 31 | 2e 31 34 33 34 35 36 34 |2E-01 1|.1434564|
|00003d70| 34 45 2b 30 30 20 20 31 | 2e 30 30 30 30 30 30 30 |4E+00 1|.0000000|
|00003d80| 30 45 2b 30 30 0d 0a 20 | 20 31 2e 38 33 34 37 37 |0E+00.. | 1.83477|
|00003d90| 32 31 36 45 2d 30 33 20 | 20 31 2e 33 39 39 34 36 |216E-03 | 1.39946|
|00003da0| 32 37 30 45 2d 30 32 20 | 20 36 2e 38 35 38 36 35 |270E-02 | 6.85865|
|00003db0| 35 31 38 45 2d 30 32 20 | 20 32 2e 33 32 32 34 30 |518E-02 | 2.32240|
|00003dc0| 38 37 33 45 2d 30 31 20 | 20 34 2e 36 39 30 36 39 |873E-01 | 4.69069|
|00003dd0| 39 34 38 45 2d 30 31 0d | 0a 20 20 33 2e 36 30 34 |948E-01.|. 3.604|
|00003de0| 35 35 31 39 39 45 2d 30 | 31 20 2d 31 2e 31 34 39 |55199E-0|1 -1.149|
|00003df0| 36 31 31 38 32 45 2d 30 | 31 20 2d 31 2e 36 39 31 |61182E-0|1 -1.691|
|00003e00| 31 37 34 37 39 45 2d 30 | 31 20 20 31 2e 31 34 35 |17479E-0|1 1.145|
|00003e10| 38 35 31 39 35 45 2b 30 | 30 20 20 31 2e 30 30 30 |85195E+0|0 1.000|
|00003e20| 30 30 30 30 30 45 2b 30 | 30 0d 0a 20 20 31 2e 38 |00000E+0|0.. 1.8|
|00003e30| 33 34 37 33 37 31 33 45 | 2d 30 33 20 20 31 2e 34 |3473713E|-03 1.4|
|00003e40| 30 33 37 33 32 32 38 45 | 2d 30 32 20 20 36 2e 38 |0373228E|-02 6.8|
|00003e50| 38 34 32 36 32 32 33 45 | 2d 30 32 20 20 32 2e 33 |8426223E|-02 2.3|
|00003e60| 32 31 38 34 34 34 33 45 | 2d 30 31 20 20 34 2e 36 |2184443E|-01 4.6|
|00003e70| 37 39 34 31 33 34 38 45 | 2d 30 31 0d 0a 20 20 33 |7941348E|-01.. 3|
|00003e80| 2e 36 32 33 31 31 39 38 | 35 45 2d 30 31 20 2d 31 |.6231198|5E-01 -1|
|00003e90| 2e 31 39 33 33 32 34 32 | 30 45 2d 30 31 20 2d 31 |.1933242|0E-01 -1|
|00003ea0| 2e 36 30 38 35 34 31 35 | 32 45 2d 30 31 20 20 31 |.6085415|2E-01 1|
|00003eb0| 2e 31 34 33 34 35 36 34 | 34 45 2b 30 30 20 20 31 |.1434564|4E+00 1|
|00003ec0| 2e 30 30 30 30 30 30 30 | 30 45 2b 30 30 0d 0a 20 |.0000000|0E+00.. |
|00003ed0| 20 31 2e 38 33 34 37 33 | 37 31 33 45 2d 30 33 20 | 1.83473|713E-03 |
|00003ee0| 20 31 2e 34 30 33 37 33 | 32 32 38 45 2d 30 32 20 | 1.40373|228E-02 |
|00003ef0| 20 36 2e 38 38 34 32 36 | 32 32 33 45 2d 30 32 20 | 6.88426|223E-02 |
|00003f00| 20 32 2e 33 32 31 38 34 | 34 34 33 45 2d 30 31 20 | 2.32184|443E-01 |
|00003f10| 20 34 2e 36 37 39 34 31 | 33 34 38 45 2d 30 31 0d | 4.67941|348E-01.|
|00003f20| 0a 20 20 33 2e 36 32 33 | 31 31 39 38 35 45 2d 30 |. 3.623|11985E-0|
|00003f30| 31 20 2d 31 2e 31 39 33 | 33 32 34 32 30 45 2d 30 |1 -1.193|32420E-0|
|00003f40| 31 20 2d 31 2e 36 30 38 | 35 34 31 35 32 45 2d 30 |1 -1.608|54152E-0|
|00003f50| 31 20 20 31 2e 31 34 33 | 34 35 36 34 34 45 2b 30 |1 1.143|45644E+0|
|00003f60| 30 20 20 31 2e 30 30 30 | 30 30 30 30 30 45 2b 30 |0 1.000|00000E+0|
|00003f70| 30 0d 0a 20 20 31 2e 38 | 33 34 37 37 32 31 36 45 |0.. 1.8|3477216E|
|00003f80| 2d 30 33 20 20 31 2e 33 | 39 39 34 36 32 37 30 45 |-03 1.3|9946270E|
|00003f90| 2d 30 32 20 20 36 2e 38 | 35 38 36 35 35 31 38 45 |-02 6.8|5865518E|
|00003fa0| 2d 30 32 20 20 32 2e 33 | 32 32 34 30 38 37 33 45 |-02 2.3|2240873E|
|00003fb0| 2d 30 31 20 20 34 2e 36 | 39 30 36 39 39 34 38 45 |-01 4.6|9069948E|
|00003fc0| 2d 30 31 0d 0a 20 20 33 | 2e 36 30 34 35 35 31 39 |-01.. 3|.6045519|
|00003fd0| 39 45 2d 30 31 20 2d 31 | 2e 31 34 39 36 31 31 38 |9E-01 -1|.1496118|
|00003fe0| 32 45 2d 30 31 20 2d 31 | 2e 36 39 31 31 37 34 37 |2E-01 -1|.6911747|
|00003ff0| 39 45 2d 30 31 20 20 31 | 2e 31 34 35 38 35 31 39 |9E-01 1|.1458519|
|00004000| 35 45 2b 30 30 20 20 31 | 2e 30 30 30 30 30 30 30 |5E+00 1|.0000000|
|00004010| 30 45 2b 30 30 0d 0a 20 | 20 31 2e 38 33 34 37 33 |0E+00.. | 1.83473|
|00004020| 37 31 33 45 2d 30 33 20 | 20 31 2e 34 30 33 37 33 |713E-03 | 1.40373|
|00004030| 32 32 38 45 2d 30 32 20 | 20 36 2e 38 38 34 32 36 |228E-02 | 6.88426|
|00004040| 32 32 33 45 2d 30 32 20 | 20 32 2e 33 32 31 38 34 |223E-02 | 2.32184|
|00004050| 34 34 33 45 2d 30 31 20 | 20 34 2e 36 37 39 34 31 |443E-01 | 4.67941|
|00004060| 33 34 38 45 2d 30 31 0d | 0a 20 20 33 2e 36 32 33 |348E-01.|. 3.623|
|00004070| 31 31 39 38 35 45 2d 30 | 31 20 2d 31 2e 31 39 33 |11985E-0|1 -1.193|
|00004080| 33 32 34 32 30 45 2d 30 | 31 20 2d 31 2e 36 30 38 |32420E-0|1 -1.608|
|00004090| 35 34 31 35 32 45 2d 30 | 31 20 20 31 2e 31 34 33 |54152E-0|1 1.143|
|000040a0| 34 35 36 34 34 45 2b 30 | 30 20 20 31 2e 30 30 30 |45644E+0|0 1.000|
|000040b0| 30 30 30 30 30 45 2b 30 | 30 0d 0a 20 20 31 2e 38 |00000E+0|0.. 1.8|
|000040c0| 33 31 30 37 34 34 33 45 | 2d 30 33 20 20 31 2e 33 |3107443E|-03 1.3|
|000040d0| 39 35 30 31 37 32 32 45 | 2d 30 32 20 20 36 2e 38 |9501722E|-02 6.8|
|000040e0| 34 34 35 30 37 38 31 45 | 2d 30 32 20 20 32 2e 33 |4450781E|-02 2.3|
|000040f0| 32 37 31 34 33 33 36 45 | 2d 30 31 20 20 34 2e 37 |2714336E|-01 4.7|
|00004100| 30 31 39 32 38 39 38 45 | 2d 30 31 0d 0a 20 20 33 |0192898E|-01.. 3|
|00004110| 2e 35 38 35 32 30 38 35 | 33 45 2d 30 31 20 2d 31 |.5852085|3E-01 -1|
|00004120| 2e 31 30 37 37 37 35 35 | 30 45 2d 30 31 20 2d 31 |.1077755|0E-01 -1|
|00004130| 2e 34 38 30 32 36 32 36 | 33 45 2d 30 31 20 20 31 |.4802626|3E-01 1|
|00004140| 2e 31 33 30 37 36 37 30 | 32 45 2b 30 30 20 20 31 |.1307670|2E+00 1|
|00004150| 2e 30 30 30 30 30 30 30 | 30 45 2b 30 30 0d 0a 20 |.0000000|0E+00.. |
|00004160| 20 31 2e 38 33 31 30 37 | 34 34 33 45 2d 30 33 20 | 1.83107|443E-03 |
|00004170| 20 31 2e 33 39 35 30 31 | 37 32 32 45 2d 30 32 20 | 1.39501|722E-02 |
|00004180| 20 36 2e 38 34 34 35 30 | 37 38 31 45 2d 30 32 20 | 6.84450|781E-02 |
|00004190| 20 32 2e 33 32 37 31 34 | 33 33 36 45 2d 30 31 20 | 2.32714|336E-01 |
|000041a0| 20 34 2e 37 30 31 39 32 | 38 39 38 45 2d 30 31 0d | 4.70192|898E-01.|
|000041b0| 0a 20 20 33 2e 35 38 35 | 32 30 38 35 33 45 2d 30 |. 3.585|20853E-0|
|000041c0| 31 20 2d 31 2e 31 30 37 | 37 37 35 35 30 45 2d 30 |1 -1.107|77550E-0|
|000041d0| 31 20 2d 31 2e 34 38 30 | 32 36 32 36 33 45 2d 30 |1 -1.480|26263E-0|
|000041e0| 31 20 20 31 2e 31 33 30 | 37 36 37 30 32 45 2b 30 |1 1.130|76702E+0|
|000041f0| 30 20 20 31 2e 30 30 30 | 30 30 30 30 30 45 2b 30 |0 1.000|00000E+0|
|00004200| 30 0d 0a 20 20 31 2e 38 | 33 34 37 33 37 31 33 45 |0.. 1.8|3473713E|
|00004210| 2d 30 33 20 20 31 2e 34 | 30 33 37 33 32 32 38 45 |-03 1.4|0373228E|
|00004220| 2d 30 32 20 20 36 2e 38 | 38 34 32 36 32 32 33 45 |-02 6.8|8426223E|
|00004230| 2d 30 32 20 20 32 2e 33 | 32 31 38 34 34 34 33 45 |-02 2.3|2184443E|
|00004240| 2d 30 31 20 20 34 2e 36 | 37 39 34 31 33 34 38 45 |-01 4.6|7941348E|
|00004250| 2d 30 31 0d 0a 20 20 33 | 2e 36 32 33 31 31 39 38 |-01.. 3|.6231198|
|00004260| 35 45 2d 30 31 20 2d 31 | 2e 31 39 33 33 32 34 32 |5E-01 -1|.1933242|
|00004270| 30 45 2d 30 31 20 2d 31 | 2e 36 30 38 35 34 31 35 |0E-01 -1|.6085415|
|00004280| 32 45 2d 30 31 20 20 31 | 2e 31 34 33 34 35 36 34 |2E-01 1|.1434564|
|00004290| 34 45 2b 30 30 20 20 31 | 2e 30 30 30 30 30 30 30 |4E+00 1|.0000000|
|000042a0| 30 45 2b 30 30 0d 0a 20 | 20 33 2e 33 34 39 34 36 |0E+00.. | 3.34946|
|000042b0| 30 34 33 45 2d 30 32 20 | 20 32 2e 33 34 37 32 36 |043E-02 | 2.34726|
|000042c0| 39 35 33 45 2d 30 31 20 | 20 38 2e 31 33 37 35 37 |953E-01 | 8.13757|
|000042d0| 33 32 36 45 2d 30 31 20 | 20 31 2e 30 30 30 30 30 |326E-01 | 1.00000|
|000042e0| 30 30 30 45 2b 30 30 20 | 20 33 2e 33 34 39 34 36 |000E+00 | 3.34946|
|000042f0| 30 34 33 45 2d 30 32 0d | 0a 20 20 32 2e 33 34 37 |043E-02.|. 2.347|
|00004300| 32 36 39 35 33 45 2d 30 | 31 20 20 38 2e 31 33 37 |26953E-0|1 8.137|
|00004310| 35 37 33 32 36 45 2d 30 | 31 20 20 31 2e 30 30 30 |57326E-0|1 1.000|
|00004320| 30 30 30 30 30 45 2b 30 | 30 20 20 33 2e 33 34 39 |00000E+0|0 3.349|
|00004330| 34 36 30 34 33 45 2d 30 | 32 20 20 32 2e 33 34 37 |46043E-0|2 2.347|
|00004340| 32 36 39 35 33 45 2d 30 | 31 0d 0a 20 20 38 2e 31 |26953E-0|1.. 8.1|
|00004350| 33 37 35 37 33 32 36 45 | 2d 30 31 20 20 31 2e 30 |3757326E|-01 1.0|
|00004360| 30 30 30 30 30 30 30 45 | 2b 30 30 20 20 33 2e 33 |0000000E|+00 3.3|
|00004370| 34 39 34 36 30 34 33 45 | 2d 30 32 20 20 32 2e 33 |4946043E|-02 2.3|
|00004380| 34 37 32 36 39 35 33 45 | 2d 30 31 20 20 38 2e 31 |4726953E|-01 8.1|
|00004390| 33 37 35 37 33 32 36 45 | 2d 30 31 0d 0a 20 20 31 |3757326E|-01.. 1|
|000043a0| 2e 30 30 30 30 30 30 30 | 30 45 2b 30 30 20 20 33 |.0000000|0E+00 3|
|000043b0| 2e 33 34 39 34 36 30 34 | 33 45 2d 30 32 20 20 32 |.3494604|3E-02 2|
|000043c0| 2e 33 34 37 32 36 39 35 | 33 45 2d 30 31 20 20 38 |.3472695|3E-01 8|
|000043d0| 2e 31 33 37 35 37 33 32 | 36 45 2d 30 31 20 20 31 |.1375732|6E-01 1|
|000043e0| 2e 30 30 30 30 30 30 30 | 30 45 2b 30 30 0d 0a 20 |.0000000|0E+00.. |
|000043f0| 20 33 2e 33 34 39 34 36 | 30 34 33 45 2d 30 32 20 | 3.34946|043E-02 |
|00004400| 20 32 2e 33 34 37 32 36 | 39 35 33 45 2d 30 31 20 | 2.34726|953E-01 |
|00004410| 20 38 2e 31 33 37 35 37 | 33 32 36 45 2d 30 31 20 | 8.13757|326E-01 |
|00004420| 20 31 2e 30 30 30 30 30 | 30 30 30 45 2b 30 30 0d | 1.00000|000E+00.|
|00004430| 0a 50 28 53 3d 50 29 20 | 43 6f 6e 74 72 61 63 74 |.P(S=P) |Contract|
|00004440| 69 6f 6e 20 63 6f 65 66 | 66 69 63 69 65 6e 74 73 |ion coef|ficients|
|00004450| 20 20 20 20 20 20 20 20 | 20 20 20 20 52 20 20 20 | | R |
|00004460| 4e 3d 20 20 20 20 20 20 | 20 20 20 31 31 34 0d 0a |N= | 114..|
|00004470| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004480| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004490| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|000044a0| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|000044b0| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|000044c0| 0d 0a 20 20 30 2e 30 30 | 30 30 30 30 30 30 45 2b |.. 0.00|000000E+|
|000044d0| 30 30 20 20 36 2e 38 39 | 39 39 30 36 36 36 45 2d |00 6.89|990666E-|
|000044e0| 30 32 20 20 33 2e 31 36 | 34 32 33 39 36 31 45 2d |02 3.16|423961E-|
|000044f0| 30 31 20 20 37 2e 34 34 | 33 30 38 32 39 31 45 2d |01 7.44|308291E-|
|00004500| 30 31 20 20 31 2e 30 30 | 30 30 30 30 30 30 45 2b |01 1.00|000000E+|
|00004510| 30 30 0d 0a 20 20 30 2e | 30 30 30 30 30 30 30 30 |00.. 0.|00000000|
|00004520| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|00004530| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|00004540| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|00004550| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|00004560| 45 2b 30 30 0d 0a 20 20 | 30 2e 30 30 30 30 30 30 |E+00.. |0.000000|
|00004570| 30 30 45 2b 30 30 20 20 | 36 2e 37 35 37 39 37 34 |00E+00 |6.757974|
|00004580| 33 39 45 2d 30 32 20 20 | 33 2e 32 33 39 30 37 32 |39E-02 |3.239072|
|00004590| 39 36 45 2d 30 31 20 20 | 37 2e 34 30 38 39 35 31 |96E-01 |7.408951|
|000045a0| 34 30 45 2d 30 31 20 20 | 31 2e 30 30 30 30 30 30 |40E-01 |1.000000|
|000045b0| 30 30 45 2b 30 30 0d 0a | 20 20 30 2e 30 30 30 30 |00E+00..| 0.0000|
|000045c0| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|000045d0| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|000045e0| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|000045f0| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|00004600| 30 30 30 30 45 2b 30 30 | 0d 0a 20 20 30 2e 30 30 |0000E+00|.. 0.00|
|00004610| 30 30 30 30 30 30 45 2b | 30 30 20 20 36 2e 38 39 |000000E+|00 6.89|
|00004620| 39 39 30 36 36 36 45 2d | 30 32 20 20 33 2e 31 36 |990666E-|02 3.16|
|00004630| 34 32 33 39 36 31 45 2d | 30 31 20 20 37 2e 34 34 |423961E-|01 7.44|
|00004640| 33 30 38 32 39 31 45 2d | 30 31 20 20 31 2e 30 30 |308291E-|01 1.00|
|00004650| 30 30 30 30 30 30 45 2b | 30 30 0d 0a 20 20 30 2e |000000E+|00.. 0.|
|00004660| 30 30 30 30 30 30 30 30 | 45 2b 30 30 20 20 30 2e |00000000|E+00 0.|
|00004670| 30 30 30 30 30 30 30 30 | 45 2b 30 30 20 20 30 2e |00000000|E+00 0.|
|00004680| 30 30 30 30 30 30 30 30 | 45 2b 30 30 20 20 30 2e |00000000|E+00 0.|
|00004690| 30 30 30 30 30 30 30 30 | 45 2b 30 30 20 20 30 2e |00000000|E+00 0.|
|000046a0| 30 30 30 30 30 30 30 30 | 45 2b 30 30 0d 0a 20 20 |00000000|E+00.. |
|000046b0| 30 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 20 20 |0.000000|00E+00 |
|000046c0| 36 2e 38 39 39 39 30 36 | 36 36 45 2d 30 32 20 20 |6.899906|66E-02 |
|000046d0| 33 2e 31 36 34 32 33 39 | 36 31 45 2d 30 31 20 20 |3.164239|61E-01 |
|000046e0| 37 2e 34 34 33 30 38 32 | 39 31 45 2d 30 31 20 20 |7.443082|91E-01 |
|000046f0| 31 2e 30 30 30 30 30 30 | 30 30 45 2b 30 30 0d 0a |1.000000|00E+00..|
|00004700| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004710| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004720| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004730| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004740| 20 20 30 2e 30 30 30 30 | 30 30 30 30 45 2b 30 30 | 0.0000|0000E+00|
|00004750| 0d 0a 20 20 30 2e 30 30 | 30 30 30 30 30 30 45 2b |.. 0.00|000000E+|
|00004760| 30 30 20 20 36 2e 37 35 | 37 39 37 34 33 39 45 2d |00 6.75|797439E-|
|00004770| 30 32 20 20 33 2e 32 33 | 39 30 37 32 39 36 45 2d |02 3.23|907296E-|
|00004780| 30 31 20 20 37 2e 34 30 | 38 39 35 31 34 30 45 2d |01 7.40|895140E-|
|00004790| 30 31 20 20 31 2e 30 30 | 30 30 30 30 30 30 45 2b |01 1.00|000000E+|
|000047a0| 30 30 0d 0a 20 20 30 2e | 30 30 30 30 30 30 30 30 |00.. 0.|00000000|
|000047b0| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|000047c0| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|000047d0| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|000047e0| 45 2b 30 30 20 20 30 2e | 30 30 30 30 30 30 30 30 |E+00 0.|00000000|
|000047f0| 45 2b 30 30 0d 0a 20 20 | 30 2e 30 30 30 30 30 30 |E+00.. |0.000000|
|00004800| 30 30 45 2b 30 30 20 20 | 36 2e 38 39 39 39 30 36 |00E+00 |6.899906|
|00004810| 36 36 45 2d 30 32 20 20 | 33 2e 31 36 34 32 33 39 |66E-02 |3.164239|
|00004820| 36 31 45 2d 30 31 20 20 | 37 2e 34 34 33 30 38 32 |61E-01 |7.443082|
|00004830| 39 31 45 2d 30 31 20 20 | 31 2e 30 30 30 30 30 30 |91E-01 |1.000000|
|00004840| 30 30 45 2b 30 30 0d 0a | 20 20 30 2e 30 30 30 30 |00E+00..| 0.0000|
|00004850| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|00004860| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|00004870| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|00004880| 30 30 30 30 45 2b 30 30 | 20 20 30 2e 30 30 30 30 |0000E+00| 0.0000|
|00004890| 30 30 30 30 45 2b 30 30 | 0d 0a 20 20 30 2e 30 30 |0000E+00|.. 0.00|
|000048a0| 30 30 30 30 30 30 45 2b | 30 30 20 20 37 2e 30 38 |000000E+|00 7.08|
|000048b0| 37 34 32 36 38 32 45 2d | 30 32 20 20 33 2e 33 39 |742682E-|02 3.39|
|000048c0| 37 35 32 38 33 39 45 2d | 30 31 20 20 37 2e 32 37 |752839E-|01 7.27|
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|000048e0| 30 30 30 30 30 30 45 2b | 30 30 0d 0a 20 20 30 2e |000000E+|00.. 0.|
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|000055c0| 36 33 39 32 45 2d 30 31 | 20 2d 33 2e 35 32 30 39 |6392E-01| -3.5209|
|000055d0| 34 31 35 30 45 2d 30 31 | 20 20 39 2e 35 34 34 32 |4150E-01| 9.5442|
|000055e0| 30 38 35 38 45 2d 30 32 | 20 20 31 2e 36 35 32 34 |0858E-02| 1.6524|
|000055f0| 33 34 35 37 45 2d 30 31 | 0d 0a 20 20 31 2e 38 33 |3457E-01|.. 1.83|
|00005600| 38 36 30 32 38 37 45 2d | 30 31 20 20 32 2e 33 30 |860287E-|01 2.30|
|00005610| 30 30 31 33 38 36 45 2d | 30 31 20 20 32 2e 34 37 |001386E-|01 2.47|
|00005620| 35 33 30 35 32 38 45 2d | 30 31 20 20 32 2e 36 38 |530528E-|01 2.68|
|00005630| 35 33 30 34 38 37 45 2d | 30 31 20 20 32 2e 38 30 |530487E-|01 2.80|
|00005640| 36 39 36 33 30 36 45 2d | 30 31 0d 0a 20 20 32 2e |696306E-|01.. 2.|
|00005650| 39 38 33 31 31 30 38 37 | 45 2d 30 31 20 20 33 2e |98311087|E-01 3.|
|00005660| 34 32 38 30 34 38 33 30 | 45 2d 30 31 20 20 33 2e |42804830|E-01 3.|
|00005670| 37 30 38 36 39 33 34 38 | 45 2d 30 31 20 20 33 2e |70869348|E-01 3.|
|00005680| 38 32 32 34 36 39 35 34 | 45 2d 30 31 20 20 34 2e |82246954|E-01 4.|
|00005690| 31 35 36 39 33 32 33 36 | 45 2d 30 31 0d 0a 20 20 |15693236|E-01.. |
|000056a0| 34 2e 33 39 38 39 33 35 | 36 34 45 2d 30 31 20 20 |4.398935|64E-01 |
|000056b0| 34 2e 37 32 33 31 33 31 | 35 32 45 2d 30 31 20 20 |4.723131|52E-01 |
|000056c0| 35 2e 31 31 33 32 30 32 | 38 31 45 2d 30 31 20 20 |5.113202|81E-01 |
|000056d0| 35 2e 33 38 32 36 36 37 | 31 33 45 2d 30 31 20 20 |5.382667|13E-01 |
|000056e0| 35 2e 35 34 36 38 32 30 | 36 30 45 2d 30 31 0d 0a |5.546820|60E-01..|
|000056f0| 20 20 36 2e 37 30 32 32 | 36 35 31 32 45 2d 30 31 | 6.7022|6512E-01|
|00005700| 20 20 36 2e 38 32 33 33 | 31 34 30 35 45 2d 30 31 | 6.8233|1405E-01|
|00005710| 20 20 37 2e 33 34 32 39 | 38 36 39 36 45 2d 30 31 | 7.3429|8696E-01|
|00005720| 20 20 37 2e 35 32 31 33 | 39 39 30 39 45 2d 30 31 | 7.5213|9909E-01|
|00005730| 20 20 37 2e 37 39 30 31 | 34 37 34 30 45 2d 30 31 | 7.7901|4740E-01|
|00005740| 0d 0a 20 20 38 2e 30 31 | 31 33 34 31 32 38 45 2d |.. 8.01|134128E-|
|00005750| 30 31 20 20 38 2e 31 30 | 36 34 39 32 34 30 45 2d |01 8.10|649240E-|
|00005760| 30 31 20 20 38 2e 31 38 | 37 37 39 32 30 39 45 2d |01 8.18|779209E-|
|00005770| 30 31 20 20 38 2e 35 37 | 38 31 33 38 32 31 45 2d |01 8.57|813821E-|
|00005780| 30 31 20 20 38 2e 38 30 | 32 32 30 36 31 32 45 2d |01 8.80|220612E-|
|00005790| 30 31 0d 0a 20 20 39 2e | 31 39 33 33 33 37 34 31 |01.. 9.|19333741|
|000057a0| 45 2d 30 31 20 20 39 2e | 34 36 39 38 33 39 30 34 |E-01 9.|46983904|
|000057b0| 45 2d 30 31 20 20 39 2e | 34 39 39 33 39 31 38 30 |E-01 9.|49939180|
|000057c0| 45 2d 30 31 20 20 39 2e | 37 33 30 37 30 38 30 39 |E-01 9.|73070809|
|000057d0| 45 2d 30 31 20 20 39 2e | 39 32 39 31 37 32 33 35 |E-01 9.|92917235|
|000057e0| 45 2d 30 31 0d 0a 20 20 | 31 2e 30 30 36 34 38 30 |E-01.. |1.006480|
|000057f0| 35 34 45 2b 30 30 20 20 | 31 2e 30 37 30 31 39 32 |54E+00 |1.070192|
|00005800| 30 37 45 2b 30 30 20 20 | 31 2e 30 38 37 35 33 36 |07E+00 |1.087536|
|00005810| 31 32 45 2b 30 30 20 20 | 31 2e 31 30 33 35 30 32 |12E+00 |1.103502|
|00005820| 39 38 45 2b 30 30 20 20 | 31 2e 31 30 36 31 34 31 |98E+00 |1.106141|
|00005830| 34 36 45 2b 30 30 0d 0a | 20 20 31 2e 31 33 35 35 |46E+00..| 1.1355|
|00005840| 30 31 37 31 45 2b 30 30 | 20 20 31 2e 31 35 38 38 |0171E+00| 1.1588|
|00005850| 32 32 30 32 45 2b 30 30 | 20 20 31 2e 31 38 34 31 |2202E+00| 1.1841|
|00005860| 32 35 38 38 45 2b 30 30 | 20 20 31 2e 31 39 38 39 |2588E+00| 1.1989|
|00005870| 39 38 35 32 45 2b 30 30 | 20 20 31 2e 32 30 34 39 |9852E+00| 1.2049|
|00005880| 37 35 36 38 45 2b 30 30 | 0d 0a 20 20 31 2e 32 30 |7568E+00|.. 1.20|
|00005890| 36 35 32 37 35 34 45 2b | 30 30 20 20 31 2e 32 34 |652754E+|00 1.24|
|000058a0| 37 37 32 32 32 35 45 2b | 30 30 20 20 31 2e 33 32 |772225E+|00 1.32|
|000058b0| 35 31 34 31 39 36 45 2b | 30 30 20 20 31 2e 33 34 |514196E+|00 1.34|
|000058c0| 38 35 36 33 30 38 45 2b | 30 30 20 20 31 2e 33 35 |856308E+|00 1.35|
|000058d0| 31 31 32 38 37 31 45 2b | 30 30 0d 0a 20 20 31 2e |112871E+|00.. 1.|
|000058e0| 33 36 30 30 33 36 38 38 | 45 2b 30 30 20 20 31 2e |36003688|E+00 1.|
|000058f0| 34 30 32 35 32 33 38 33 | 45 2b 30 30 20 20 31 2e |40252383|E+00 1.|
|00005900| 34 31 38 33 36 36 36 36 | 45 2b 30 30 20 20 31 2e |41836666|E+00 1.|
|00005910| 34 34 36 34 35 34 33 37 | 45 2b 30 30 20 20 31 2e |44645437|E+00 1.|
|00005920| 35 33 38 33 39 35 32 36 | 45 2b 30 30 0d 0a 20 20 |53839526|E+00.. |
|00005930| 31 2e 35 37 35 37 32 34 | 35 37 45 2b 30 30 20 20 |1.575724|57E+00 |
|00005940| 31 2e 36 38 34 30 39 32 | 30 33 45 2b 30 30 20 20 |1.684092|03E+00 |
|00005950| 31 2e 37 32 35 39 32 34 | 32 34 45 2b 30 30 20 20 |1.725924|24E+00 |
|00005960| 31 2e 38 31 32 33 37 33 | 38 33 45 2b 30 30 20 20 |1.812373|83E+00 |
|00005970| 31 2e 38 38 35 39 34 34 | 33 31 45 2b 30 30 0d 0a |1.885944|31E+00..|
|00005980| 20 20 31 2e 39 34 37 30 | 33 31 36 34 45 2b 30 30 | 1.9470|3164E+00|
|00005990| 20 20 32 2e 33 33 33 30 | 31 31 34 32 45 2b 30 30 | 2.3330|1142E+00|
|000059a0| 20 20 32 2e 33 37 36 33 | 34 30 32 32 45 2b 30 30 | 2.3763|4022E+00|
|000059b0| 0d 0a 41 6c 70 68 61 20 | 4d 4f 20 63 6f 65 66 66 |..Alpha |MO coeff|
|000059c0| 69 63 69 65 6e 74 73 20 | 20 20 20 20 20 20 20 20 |icients | |
|000059d0| 20 20 20 20 20 20 20 20 | 20 20 20 20 20 52 20 20 | | R |
|000059e0| 20 4e 3d 20 20 20 20 20 | 20 20 20 38 36 34 39 0d | N= | 8649.|
|000059f0| 0a 20 20 32 2e 30 36 37 | 39 39 36 34 32 45 2d 30 |. 2.067|99642E-0|
|00005a00| 34 20 20 37 2e 39 32 30 | 33 33 30 39 32 45 2d 30 |4 7.920|33092E-0|
|00005a10| 34 20 20 39 2e 34 32 33 | 35 38 34 36 31 45 2d 30 |4 9.423|58461E-0|
|00005a20| 35 20 2d 37 2e 38 39 33 | 32 35 31 38 30 45 2d 30 |5 -7.893|25180E-0|
|00005a30| 35 20 20 37 2e 33 31 39 | 32 33 39 37 30 45 2d 30 |5 7.319|23970E-0|
|00005a40| 37 0d 0a 20 20 33 2e 36 | 34 32 39 33 37 38 31 45 |7.. 3.6|4293781E|
|00005a50| 2d 30 33 20 2d 37 2e 36 | 39 39 32 37 32 36 35 45 |-03 -7.6|9927265E|
|00005a60| 2d 30 33 20 20 39 2e 30 | 33 38 30 36 32 33 33 45 |-03 9.0|3806233E|
|00005a70| 2d 30 33 20 20 31 2e 34 | 35 38 34 35 31 32 39 45 |-03 1.4|5845129E|
|00005a80| 2d 30 36 20 2d 33 2e 37 | 38 31 36 38 36 39 36 45 |-06 -3.7|8168696E|
|00005a90| 2d 30 35 0d 0a 20 2d 35 | 2e 31 36 39 33 34 32 33 |-05.. -5|.1693423|
|00005aa0| 34 45 2d 30 34 20 20 31 | 2e 30 31 34 31 34 31 39 |4E-04 1|.0141419|
|00005ab0| 36 45 2d 30 34 20 20 37 | 2e 35 33 37 36 39 31 36 |6E-04 7|.5376916|
|00005ac0| 38 45 2d 30 35 20 2d 34 | 2e 37 36 33 33 33 30 32 |8E-05 -4|.7633302|
|00005ad0| 30 45 2d 30 37 20 20 33 | 2e 35 30 32 32 39 32 39 |0E-07 3|.5022929|
|00005ae0| 37 45 2d 30 33 0d 0a 20 | 2d 31 2e 33 30 34 35 34 |7E-03.. |-1.30454|
|00005af0| 37 34 39 45 2d 30 33 20 | 2d 32 2e 34 38 39 37 33 |749E-03 |-2.48973|
|00005b00| 37 34 32 45 2d 30 33 20 | 20 33 2e 36 37 34 31 34 |742E-03 | 3.67414|
|00005b10| 38 37 39 45 2d 30 36 20 | 2d 31 2e 31 39 30 33 35 |879E-06 |-1.19035|
|00005b20| 38 31 37 45 2d 30 35 20 | 2d 31 2e 32 33 39 35 37 |817E-05 |-1.23957|
|00005b30| 34 33 38 45 2d 30 34 0d | 0a 20 2d 32 2e 31 38 38 |438E-04.|. -2.188|
|00005b40| 33 31 36 36 31 45 2d 30 | 34 20 2d 31 2e 30 36 32 |31661E-0|4 -1.062|
|00005b50| 38 30 31 37 30 45 2d 30 | 35 20 2d 31 2e 35 39 39 |80170E-0|5 -1.599|
|00005b60| 30 35 30 35 33 45 2d 30 | 36 20 20 33 2e 30 35 32 |05053E-0|6 3.052|
|00005b70| 35 38 30 31 33 45 2d 30 | 33 20 20 36 2e 32 37 39 |58013E-0|3 6.279|
|00005b80| 37 32 34 35 32 45 2d 30 | 33 0d 0a 20 2d 34 2e 37 |72452E-0|3.. -4.7|
|00005b90| 30 32 39 35 34 32 33 45 | 2d 30 34 20 20 39 2e 35 |0295423E|-04 9.5|
|00005ba0| 39 34 36 35 36 31 31 45 | 2d 30 36 20 2d 31 2e 34 |9465611E|-06 -1.4|
|00005bb0| 31 37 38 39 34 34 39 45 | 2d 30 35 20 2d 32 2e 31 |1789449E|-05 -2.1|
|00005bc0| 35 30 34 36 33 34 39 45 | 2d 30 34 20 20 37 2e 31 |5046349E|-04 7.1|
|00005bd0| 31 35 38 39 33 39 35 45 | 2d 30 35 0d 0a 20 2d 32 |1589395E|-05.. -2|
|00005be0| 2e 31 31 30 31 35 34 34 | 32 45 2d 30 34 20 20 33 |.1101544|2E-04 3|
|00005bf0| 2e 31 39 34 37 36 32 32 | 36 45 2d 30 38 20 2d 33 |.1947622|6E-08 -3|
|00005c00| 2e 32 34 35 36 36 30 39 | 33 45 2d 30 33 20 20 33 |.2456609|3E-03 3|
|00005c10| 2e 34 30 30 39 39 36 33 | 37 45 2d 30 34 20 2d 31 |.4009963|7E-04 -1|
|00005c20| 2e 31 39 30 31 31 38 33 | 37 45 2d 30 33 0d 0a 20 |.1901183|7E-03.. |
|00005c30| 2d 33 2e 39 30 30 31 36 | 30 31 37 45 2d 30 36 20 |-3.90016|017E-06 |
|00005c40| 2d 31 2e 34 36 37 36 35 | 31 38 30 45 2d 30 35 20 |-1.46765|180E-05 |
|00005c50| 2d 31 2e 36 30 33 32 31 | 37 31 31 45 2d 30 34 20 |-1.60321|711E-04 |
|00005c60| 20 34 2e 30 38 34 34 30 | 39 30 35 45 2d 30 36 20 | 4.08440|905E-06 |
|00005c70| 2d 35 2e 33 31 30 33 33 | 37 30 38 45 2d 30 35 0d |-5.31033|708E-05.|
|00005c80| 0a 20 2d 32 2e 35 31 36 | 32 34 38 35 32 45 2d 30 |. -2.516|24852E-0|
|00005c90| 37 20 20 39 2e 37 34 35 | 34 37 32 38 31 45 2d 30 |7 9.745|47281E-0|
|00005ca0| 34 20 2d 39 2e 34 38 36 | 39 35 32 34 30 45 2d 30 |4 -9.486|95240E-0|
|00005cb0| 35 20 20 34 2e 34 31 37 | 35 32 31 39 36 45 2d 30 |5 4.417|52196E-0|
|00005cc0| 34 20 20 31 2e 35 32 36 | 36 34 33 34 34 45 2d 30 |4 1.526|64344E-0|
|00005cd0| 36 0d 0a 20 2d 33 2e 37 | 32 39 35 36 32 36 35 45 |6.. -3.7|2956265E|
|00005ce0| 2d 30 35 20 2d 35 2e 30 | 33 30 34 39 38 32 35 45 |-05 -5.0|3049825E|
|00005cf0| 2d 30 34 20 20 31 2e 39 | 38 36 38 31 36 33 36 45 |-04 1.9|8681636E|
|00005d00| 2d 30 34 20 2d 31 2e 33 | 30 36 31 35 37 32 35 45 |-04 -1.3|0615725E|
|00005d10| 2d 30 34 20 20 32 2e 37 | 32 39 35 38 32 30 32 45 |-04 2.7|2958202E|
|00005d20| 2d 30 37 0d 0a 20 2d 36 | 2e 38 38 37 36 34 38 38 |-07.. -6|.8876488|
|00005d30| 33 45 2d 30 34 20 20 37 | 2e 33 33 37 38 30 30 34 |3E-04 7|.3378004|
|00005d40| 37 45 2d 30 35 20 20 34 | 2e 33 32 37 31 39 38 36 |7E-05 4|.3271986|
|00005d50| 31 45 2d 30 34 20 2d 31 | 2e 35 37 37 37 30 34 31 |1E-04 -1|.5777041|
|00005d60| 34 45 2d 30 37 20 2d 32 | 2e 39 36 30 32 31 33 36 |4E-07 -2|.9602136|
|00005d70| 30 45 2d 30 34 0d 0a 20 | 2d 36 2e 34 32 33 32 32 |0E-04.. |-6.42322|
|00005d80| 39 37 35 45 2d 30 35 20 | 20 36 2e 37 39 30 36 31 |975E-05 | 6.79061|
|00005d90| 38 32 34 45 2d 30 36 20 | 2d 31 2e 32 35 38 34 37 |824E-06 |-1.25847|
|00005da0| 35 36 31 45 2d 30 36 20 | 20 31 2e 30 37 36 34 35 |561E-06 | 1.07645|
|00005db0| 34 36 34 45 2d 30 37 20 | 20 31 2e 37 31 31 38 37 |464E-07 | 1.71187|
|00005dc0| 37 34 35 45 2d 30 34 0d | 0a 20 2d 37 2e 39 35 36 |745E-04.|. -7.956|
|00005dd0| 37 34 35 33 39 45 2d 30 | 35 20 2d 37 2e 33 30 32 |74539E-0|5 -7.302|
|00005de0| 35 31 30 39 30 45 2d 30 | 35 20 2d 33 2e 37 34 36 |51090E-0|5 -3.746|
|00005df0| 35 32 32 37 32 45 2d 30 | 37 20 20 39 2e 39 35 39 |52272E-0|7 9.959|
|00005e00| 30 32 32 37 39 45 2d 30 | 31 20 20 32 2e 33 36 39 |02279E-0|1 2.369|
|00005e10| 36 33 31 34 31 45 2d 30 | 32 0d 0a 20 20 31 2e 34 |63141E-0|2.. 1.4|
|00005e20| 31 36 35 38 39 32 31 45 | 2d 30 33 20 2d 31 2e 39 |1658921E|-03 -1.9|
|00005e30| 34 32 36 32 32 31 35 45 | 2d 30 33 20 2d 31 2e 36 |4262215E|-03 -1.6|
|00005e40| 30 32 38 30 39 38 36 45 | 2d 30 36 20 2d 31 2e 37 |0280986E|-06 -1.7|
|00005e50| 32 36 37 37 34 34 38 45 | 2d 30 32 20 2d 32 2e 39 |2677448E|-02 -2.9|
|00005e60| 39 30 32 30 36 31 38 45 | 2d 30 33 0d 0a 20 20 34 |9020618E|-03.. 4|
|00005e70| 2e 34 37 33 34 34 30 34 | 32 45 2d 30 33 20 20 33 |.4734404|2E-03 3|
|00005e80| 2e 32 34 35 32 34 35 31 | 39 45 2d 30 36 20 2d 32 |.2452451|9E-06 -2|
|00005e90| 2e 31 37 30 34 36 30 38 | 30 45 2d 30 35 20 2d 31 |.1704608|0E-05 -1|
|00005ea0| 2e 33 35 39 33 37 31 38 | 34 45 2d 30 34 20 20 32 |.3593718|4E-04 2|
|00005eb0| 2e 30 39 38 32 33 30 39 | 38 45 2d 30 34 0d 0a 20 |.0982309|8E-04.. |
|00005ec0| 20 35 2e 33 36 32 34 36 | 34 33 36 45 2d 30 35 20 | 5.36246|436E-05 |
|00005ed0| 2d 38 2e 37 39 34 36 31 | 36 36 35 45 2d 30 39 20 |-8.79461|665E-09 |
|00005ee0| 20 33 2e 35 34 35 36 32 | 37 37 30 45 2d 30 33 20 | 3.54562|770E-03 |
|00005ef0| 20 31 2e 31 37 39 32 30 | 34 31 34 45 2d 30 33 20 | 1.17920|414E-03 |
|00005f00| 20 38 2e 37 35 34 33 31 | 32 33 32 45 2d 30 37 0d | 8.75431|232E-07.|
|00005f10| 0a 20 2d 32 2e 36 35 30 | 36 38 37 32 33 45 2d 30 |. -2.650|68723E-0|
|00005f20| 35 20 20 32 2e 35 37 30 | 32 33 31 39 34 45 2d 30 |5 2.570|23194E-0|
|00005f30| 34 20 20 34 2e 38 33 31 | 37 31 35 30 37 45 2d 30 |4 4.831|71507E-0|
|00005f40| 34 20 20 32 2e 32 31 34 | 31 36 39 34 35 45 2d 30 |4 2.214|16945E-0|
|00005f50| 35 20 2d 33 2e 30 34 37 | 31 31 38 35 32 45 2d 30 |5 -3.047|11852E-0|
|00005f60| 35 0d 0a 20 2d 34 2e 32 | 31 31 37 39 34 32 30 45 |5.. -4.2|1179420E|
|00005f70| 2d 30 36 20 20 38 2e 38 | 35 35 38 32 30 34 35 45 |-06 8.8|5582045E|
|00005f80| 2d 30 35 20 2d 31 2e 35 | 35 36 30 32 39 39 33 45 |-05 -1.5|5602993E|
|00005f90| 2d 30 34 20 2d 31 2e 38 | 32 33 39 30 36 33 38 45 |-04 -1.8|2390638E|
|00005fa0| 2d 30 34 20 2d 34 2e 30 | 32 33 30 37 31 36 37 45 |-04 -4.0|2307167E|
|00005fb0| 2d 30 35 0d 0a 20 2d 32 | 2e 32 34 35 36 30 32 37 |-05.. -2|.2456027|
|00005fc0| 38 45 2d 30 34 20 2d 32 | 2e 35 30 35 34 32 36 36 |8E-04 -2|.5054266|
|00005fd0| 34 45 2d 30 35 20 2d 32 | 2e 30 38 36 37 38 34 38 |4E-05 -2|.0867848|
|00005fe0| 38 45 2d 30 34 20 2d 33 | 2e 31 37 32 33 39 37 34 |8E-04 -3|.1723974|
|00005ff0| 31 45 2d 30 35 20 2d 34 | 2e 33 32 32 32 36 33 31 |1E-05 -4|.3222631|
|00006000| 30 45 2d 30 34 0d 0a 20 | 2d 32 2e 34 38 35 33 39 |0E-04.. |-2.48539|
|00006010| 33 32 39 45 2d 30 34 20 | 20 32 2e 33 38 31 35 32 |329E-04 | 2.38152|
|00006020| 39 31 39 45 2d 30 35 20 | 20 32 2e 32 32 39 35 31 |919E-05 | 2.22951|
|00006030| 30 30 33 45 2d 30 37 20 | 2d 31 2e 32 37 31 33 34 |003E-07 |-1.27134|
|00006040| 30 39 36 45 2d 30 33 20 | 2d 32 2e 37 37 35 36 35 |096E-03 |-2.77565|
|00006050| 32 36 33 45 2d 30 35 0d | 0a 20 20 33 2e 38 31 32 |263E-05.|. 3.812|
|00006060| 39 39 35 39 39 45 2d 30 | 34 20 20 32 2e 38 30 39 |99599E-0|4 2.809|
|00006070| 39 33 34 31 35 45 2d 30 | 36 20 2d 32 2e 38 35 34 |93415E-0|6 -2.854|
|00006080| 35 38 37 34 31 45 2d 30 | 35 20 2d 34 2e 31 36 30 |58741E-0|5 -4.160|
|00006090| 39 36 38 32 30 45 2d 30 | 34 20 20 31 2e 39 32 31 |96820E-0|4 1.921|
|000060a0| 36 38 37 36 34 45 2d 30 | 36 0d 0a 20 20 31 2e 31 |68764E-0|6.. 1.1|
|000060b0| 38 38 39 34 35 30 36 45 | 2d 30 34 20 20 34 2e 33 |8894506E|-04 4.3|
|000060c0| 39 36 30 35 39 37 36 45 | 2d 30 38 20 20 32 2e 36 |9605976E|-08 2.6|
|000060d0| 30 37 39 39 30 37 37 45 | 2d 30 33 20 2d 31 2e 33 |0799077E|-03 -1.3|
|000060e0| 37 39 36 33 39 31 32 45 | 2d 30 33 20 2d 32 2e 33 |7963912E|-03 -2.3|
|000060f0| 30 39 33 37 38 35 32 45 | 2d 30 33 0d 0a 20 2d 31 |0937852E|-03.. -1|
|00006100| 2e 33 38 39 37 39 34 39 | 36 45 2d 30 36 20 2d 32 |.3897949|6E-06 -2|
|00006110| 2e 30 32 38 35 39 37 39 | 34 45 2d 30 35 20 2d 32 |.0285979|4E-05 -2|
|00006120| 2e 30 31 39 35 33 39 33 | 37 45 2d 30 34 20 2d 31 |.0195393|7E-04 -1|
|00006130| 2e 32 37 38 32 31 30 39 | 32 45 2d 30 34 20 2d 32 |.2782109|2E-04 -2|
|00006140| 2e 38 31 31 36 36 32 33 | 38 45 2d 30 35 0d 0a 20 |.8116623|8E-05.. |
|00006150| 20 36 2e 34 32 34 36 33 | 35 35 33 45 2d 30 38 20 | 6.42463|553E-08 |
|00006160| 20 37 2e 36 36 31 37 37 | 36 31 37 45 2d 30 34 20 | 7.66177|617E-04 |
|00006170| 20 31 2e 33 30 37 39 32 | 35 32 37 45 2d 30 33 20 | 1.30792|527E-03 |
|00006180| 20 34 2e 30 37 35 30 30 | 33 33 32 45 2d 30 34 20 | 4.07500|332E-04 |
|00006190| 2d 31 2e 38 38 31 33 36 | 30 39 34 45 2d 30 36 0d |-1.88136|094E-06.|
|000061a0| 0a 20 2d 33 2e 34 32 37 | 33 32 35 30 34 45 2d 30 |. -3.427|32504E-0|
|000061b0| 35 20 2d 34 2e 34 34 36 | 31 32 39 37 31 45 2d 30 |5 -4.446|12971E-0|
|000061c0| 34 20 2d 32 2e 35 32 39 | 36 35 37 32 34 45 2d 30 |4 -2.529|65724E-0|
|000061d0| 34 20 2d 31 2e 31 31 38 | 36 33 32 34 36 45 2d 30 |4 -1.118|63246E-0|
|000061e0| 34 20 20 31 2e 34 32 33 | 36 39 35 38 39 45 2d 30 |4 1.423|69589E-0|
|000061f0| 37 0d 0a 20 2d 31 2e 31 | 30 35 33 31 37 30 38 45 |7.. -1.1|0531708E|
|00006200| 2d 30 33 20 2d 32 2e 32 | 34 32 31 31 37 39 37 45 |-03 -2.2|4211797E|
|00006210| 2d 30 34 20 2d 31 2e 35 | 39 39 31 31 36 31 34 45 |-04 -1.5|9911614E|
|00006220| 2d 30 34 20 20 32 2e 32 | 37 34 31 38 33 33 32 45 |-04 2.2|7418332E|
|00006230| 2d 30 37 20 2d 32 2e 38 | 38 36 37 33 37 32 35 45 |-07 -2.8|8673725E|
|00006240| 2d 30 35 0d 0a 20 2d 34 | 2e 32 37 35 32 38 39 38 |-05.. -4|.2752898|
|00006250| 38 45 2d 30 34 20 20 36 | 2e 38 32 39 38 38 39 33 |8E-04 6|.8298893|
|00006260| 36 45 2d 30 35 20 2d 31 | 2e 30 31 39 38 32 36 32 |6E-05 -1|.0198262|
|00006270| 31 45 2d 30 34 20 20 31 | 2e 39 33 34 35 34 32 33 |1E-04 1|.9345423|
|00006280| 32 45 2d 30 37 20 20 32 | 2e 38 34 31 34 39 32 38 |2E-07 2|.8414928|
|00006290| 34 45 2d 30 33 0d 0a 20 | 2d 32 2e 31 33 31 35 39 |4E-03.. |-2.13159|
|000062a0| 37 36 38 45 2d 30 33 20 | 20 31 2e 36 39 37 39 39 |768E-03 | 1.69799|
|000062b0| 34 32 36 45 2d 30 33 20 | 2d 33 2e 37 33 34 36 31 |426E-03 |-3.73461|
|000062c0| 35 30 30 45 2d 30 36 20 | 20 31 2e 38 35 35 38 38 |500E-06 | 1.85588|
|000062d0| 33 33 38 45 2d 30 34 20 | 20 35 2e 39 33 37 39 38 |338E-04 | 5.93798|
|000062e0| 33 30 30 45 2d 30 34 0d | 0a 20 2d 36 2e 39 30 34 |300E-04.|. -6.904|
|000062f0| 33 38 38 30 35 45 2d 30 | 35 20 2d 31 2e 34 33 33 |38805E-0|5 -1.433|
|00006300| 30 36 39 33 37 45 2d 30 | 35 20 2d 39 2e 31 37 33 |06937E-0|5 -9.173|
|00006310| 33 37 37 38 39 45 2d 30 | 38 20 20 34 2e 38 34 36 |37789E-0|8 4.846|
|00006320| 34 36 39 37 38 45 2d 30 | 33 20 20 31 2e 30 32 35 |46978E-0|3 1.025|
|00006330| 31 39 39 31 38 45 2d 30 | 32 0d 0a 20 20 31 2e 38 |19918E-0|2.. 1.8|
|00006340| 31 34 32 37 34 33 36 45 | 2d 30 33 20 20 31 2e 35 |1427436E|-03 1.5|
|00006350| 38 35 30 37 35 30 35 45 | 2d 30 35 20 20 39 2e 39 |8507505E|-05 9.9|
|00006360| 35 38 39 33 37 36 38 45 | 2d 30 31 20 20 32 2e 33 |5893768E|-01 2.3|
|00006370| 35 39 38 31 30 33 31 45 | 2d 30 32 20 2d 32 2e 33 |5981031E|-02 -2.3|
|00006380| 39 38 31 38 33 31 37 45 | 2d 30 33 0d 0a 20 2d 34 |9818317E|-03.. -4|
|00006390| 2e 33 39 37 37 38 39 39 | 35 45 2d 30 34 20 2d 34 |.3977899|5E-04 -4|
|000063a0| 2e 31 36 36 34 35 38 31 | 34 45 2d 30 36 20 2d 31 |.1664581|4E-06 -1|
|000063b0| 2e 36 35 35 39 38 39 34 | 36 45 2d 30 32 20 20 35 |.6559894|6E-02 5|
|000063c0| 2e 31 37 38 37 32 38 33 | 32 45 2d 30 33 20 20 39 |.1787283|2E-03 9|
|000063d0| 2e 33 39 39 39 35 33 31 | 39 45 2d 30 34 0d 0a 20 |.3999531|9E-04.. |
|000063e0| 20 38 2e 39 32 33 39 39 | 30 33 37 45 2d 30 36 20 | 8.92399|037E-06 |
|000063f0| 20 32 2e 38 39 36 36 31 | 30 34 35 45 2d 30 34 20 | 2.89661|045E-04 |
+--------+-------------------------+-------------------------+--------+--------+
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