Sophie

Sophie

distrib > Mandriva > 2010.0 > i586 > media > contrib-release > by-pkgid > b7d1325375ba2350d227462e0e96a91c > files > 18

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

 AM1 PRECISE CHARGE=+1 DEBUG VERBOSE GRAD COMPFG EPS=78.4
N(CH3)4+, Heat of formation should be 101.1 according to JCS, Perkin Trans.
II, 1993 pp. 799-805
 N              0.000000  0    0.000000  0    0.000000  0    0    0    0
 C              1.540000  1    0.000000  0    0.000000  0    1    0    0
 H              1.122530  1  109.471221  1    0.000000  0    2    1    0
 H              1.122530  1  109.471221  1  120.000000  1    2    1    3
 H              1.122530  1  109.471221  1 -120.000000  1    2    1    3
 C              1.493820  1  109.471221  1  -60.000000  1    1    2    3
 H              1.122530  1  109.471221  1  180.000000  1    6    1    2
 H              1.122530  1  109.471221  1  -60.000000  1    6    1    2
 H              1.122530  1  109.471221  1   60.000000  1    6    1    2
 C              1.493820  1  109.471221  1  180.000000  1    1    2    3
 H              1.122530  1  109.471221  1  180.000000  1   10    1    2
 H              1.122530  1  109.471221  1  -60.000000  1   10    1    2
 H              1.122530  1  109.471221  1   60.000000  1   10    1    2
 C              1.493820  1  109.471221  1   60.000000  1    1    2    3
 H              1.122530  1  109.471221  1   60.000000  1   14    1    2
 H              1.122530  1  109.471221  1  180.000000  1   14    1    2
 H              1.122530  1  109.471221  1  -60.000000  1   14    1    2
 0              0.000000  0    0.000000  0    0.000000  0    0    0    0