MOLECULAR POINT GROUP : C2V
EIGENVALUES
-29.601 -17.280 -14.348 -12.762 3.932 5.478 (MINDO/3 EF)
EIGENVECTORS
1 A1 1 B2 2 A1 1 B1 3 A1 2 B2
-29.601 -17.280 -14.348 -12.762 3.932 5.478
S O 1 0.8673 -0.0000 0.3943 -0.0000 -0.3038 -0.0000
Px O 1 0.1168 -0.6244 -0.5077 0.0000 -0.3256 0.4823
Py O 1 0.1500 0.4862 -0.6521 -0.0000 -0.4181 -0.3756
Pz O 1 0.0000 0.0000 0.0000 1.0000 -0.0000 0.0000
S H 2 0.3253 -0.4323 -0.2842 0.0000 0.5599 -0.5596
S H 3 0.3253 0.4323 -0.2842 -0.0000 0.5598 0.5596
(MINDO/3 EF VECTORS)
H (1s)1
EIGENVECTORS
-6.1 (MINDO/3)
S H 1 1.0000
O (1s)2(2s)2(2p)4
EIGENVECTORS
-26.270 -14.070 -14.070 -3.400
S O 1 1.0000 -0.0000 0.0000 -0.0000
Px O 1 0.0000 0.5470 -0.3418 0.7642
Py O 1 -0.0000 0.3597 0.9203 0.1541
Pz O 1 0.0000 0.7559 -0.1906 -0.6264
MINDO/3 EF VECTORS O 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 1 105.000 1 0.000 0 1 2 0
References
http://openmopac.net/PM7_and_PM6-D3H4_accuracy/data_molecules/water_jmol.html
