MOLECULAR POINT GROUP
C3V
HEAT OF FORMATION
-9.1 KCAL (MINDO/3 EF)
EIGENVALUES
-26.0 -14.6 -14.5 -10.1 3.6 5.0 5.0 (MINDO/3 EF)
EIGENVECTORS
1 A1 1 E 1 E 2 A1 3 A1 2 E 2 E
-26.0 -14.6 -14.5 -10.1 3.6 5.0 5.0
S N 1 0.7861 -0.0003 -0.0001 0.4230 -0.4507 0.0002 0.0005
Px N 1 0.0751 -0.6483 -0.0548 -0.3539 -0.2015 -0.0459 -0.6349
Py N 1 0.0965 0.2207 -0.5642 -0.4539 -0.2576 -0.5544 0.2096
Pz N 1 -0.1346 -0.2044 -0.4355 0.6325 0.3587 -0.4237 -0.2054
S H 2 0.3409 -0.5690 -0.0481 -0.1731 0.4333 0.0421 0.5815
S H 3 0.3411 0.3263 -0.4687 -0.1730 0.4323 0.4828 -0.3281
S H 4 0.3411 0.2429 0.5168 -0.1729 0.4320 -0.5254 -0.2549
N (1s)2(2s)2(2p)3
EIGENVECTORS
-19.2 -10.0 -5.2 -0.5
S N 1 1.0000 0.0000 -0.0000 -0.0000
Px N 1 0.0000 -0.5783 0.2857 0.7642
Py N 1 0.0000 -0.2664 -0.9515 0.1541
Pz N 1 0.0000 -0.7711 0.1145 -0.6264
MINDO/3 EF N 0.000 0 0.000 0 0.000 0 0 0 0 H 1.000 1 0.000 0 0.000 0 1 0 0 H 1.000 1 107.000 1 0.000 0 1 2 0 H 1.000 1 107.000 1 120.000 1 1 2 3
