1
6-31G** SCF H2O SCF FIRST
1
6-31G** SCF H2O Frequencies First 3 SCF FIRST
3
8.0000000000 0.0000000000 0.0000000000 -0.1204909912
4
1.0000000000 0.0000000000 1.4229708569 0.9561397346
5
1.0000000000 0.0000000000 -1.4229708569 0.9561397346
3
8.0000000000 0.0000000000 -0.0000000000 -0.1204909912
4
1.0000000000 -0.0000000000 1.4229708569 0.9561397346
5
1.0000000000 -0.0000000000 -1.4229708569 0.9561397346
6
6
0.0000000000 0.0000000000 -0.0019918113
7
7
0.0000000000 0.0008889569 0.0009959057
8
8
0.0000000000 -0.0008889569 0.0009959057
9
6-31G** SCF H2O SCF FIRST
9
6-31G** SCF H2O Frequencies First 3 SCF FIRST
11
8.0000000000 0.0000000000 0.0000000000 -0.1196545163
12
1.0000000000 0.0000000000 1.4229708569 0.9495020024
13
1.0000000000 0.0000000000 -1.4229708569 0.9495020024
11
8.0000000000 0.0000000000 -0.0000000000 -0.1196545163
12
1.0000000000 -0.0000000000 1.4229708569 0.9495020024
13
1.0000000000 -0.0000000000 -1.4229708569 0.9495020024
14
14
0.0000000000 0.0000000000 0.0019970354
15
0.0000000000 -0.0008982267 -0.0009985177
15
-0.0000000000 -0.0008982267 -0.0009985177
16
16
0.0000000000 0.0008982267 -0.0009985177
17
6-31G** SCF H2O SCF FIRST
17
6-31G** SCF H2O Frequencies First 3 SCF FIRST
19
19
8.0000000000 0.0000000000 -0.0000000000 -0.1200727538
20
1.0000000000 0.0000000000 1.4194490752 0.9528208685
21
1.0000000000 0.0000000000 -1.4194490752 0.9528208685
20
1.0000000000 -0.0000000000 1.4194490752 0.9528208685
21
1.0000000000 -0.0000000000 -1.4194490752 0.9528208685
22
22
0.0000000000 0.0000000000 0.0016964266
23
0.0000000000 -0.0016801185 -0.0008482133
23
-0.0000000000 -0.0016801185 -0.0008482133
24
24
0.0000000000 0.0016801185 -0.0008482133
25
6-31G** SCF H2O SCF FIRST
25
6-31G** SCF H2O Frequencies First 3 SCF FIRST
27
8.0000000000 0.0000000000 0.0000000000 -0.1200727538
28
1.0000000000 0.0000000000 1.4264926387 0.9528208685
29
1.0000000000 0.0000000000 -1.4264926387 0.9528208685
27
8.0000000000 0.0000000000 -0.0000000000 -0.1200727538
28
1.0000000000 -0.0000000000 1.4264926387 0.9528208685
29
1.0000000000 -0.0000000000 -1.4264926387 0.9528208685
30
30
0.0000000000 0.0000000000 -0.0016720529
31
31
0.0000000000 0.0016660108 0.0008360264
32
32
0.0000000000 -0.0016660108 0.0008360264
33
6-31G** SCF H2O SCF FIRST
33
6-31G** SCF H2O Frequencies First 3 SCF FIRST
35
35
8.0000000000 0.0000000000 -0.0003409369 -0.1200727538
36
1.0000000000 0.0000000000 1.4256763153 0.9548607339
37
1.0000000000 0.0000000000 -1.4202653986 0.9507810031
36
1.0000000000 -0.0000000000 1.4256763153 0.9548607339
37
1.0000000000 -0.0000000000 -1.4202653986 0.9507810031
38
38
0.0000000000 -0.0037533053 0.0000195266
39
39
0.0000000000 0.0018645008 0.0014052015
40
40
0.0000000000 0.0018888045 -0.0014247281