Sophie

Sophie

distrib > Mandriva > 2010.0 > i586 > media > contrib-release > by-pkgid > b7d1325375ba2350d227462e0e96a91c > files > 23

mopac7-1.14-2mdv2010.0.i586.rpm

 1scf  PM3 PRECISE GREENF VECT
 TEST FOR MOPAC 7.0 FOR J.J.P.STEWART
  dimethoxy-s-tetrazine method OVGF(PM3)
C
N         1.37642 1                                   1
N         1.28602 1      118.36407 1                  2    1
C         1.37955 1      118.51027 1     0.00317 1    3    2    1
N         1.37625 1      123.12897 1    -0.00211 1    4    3    2
N         1.28617 1      118.35611 1    -0.00012 1    5    4    3
O         1.35392 1      112.34420 1   179.99563 1    1    2    3
O         1.35390 1      124.53025 1   180.00024 1    4    3    2
C         1.41426 1      117.59432 1   179.99799 1    7    1    2
H         1.09535 1      112.24034 1    62.17779 1    9    7    1
H         1.09534 1      112.23293 1   -62.21587 1    9    7    1
H         1.09377 1      101.50305 1   179.98192 1    9    7    1
C         1.41425 1      117.59651 1    -0.00905 1    8    4    3
H         1.09535 1      112.23477 1    62.20685 1   13    8    4
H         1.09535 1      112.23416 1   -62.19005 1   13    8    4
H         1.09378 1      101.50562 1   180.01014 1   13    8    4

0 0 0
 20 19 20 27 0.0001 0 0 0 0  1