1
1
6-31G** CISD H2O MP2 NONE
3
3
8.0000000000 -0.0000000000 -0.0000000000 -0.1315101651
4
4
1.0000000000 0.0000000000 1.4799409967 1.0435808775
5
5
1.0000000000 0.0000000000 -1.4799409967 1.0435808775
6
-0.0000000000 -0.0000000000 -0.0417232835
7
0.0000000000 0.0285092800 0.0208616417
8
0.0000000000 -0.0285092800 0.0208616417
9
6-31G** CISD H2O MP2 NONE
11
8.0000000000 -0.0000000000 -0.0000000000 -0.1276610275
12
1.0000000000 0.0000000000 1.4126545053 1.0130365740
13
1.0000000000 0.0000000000 -1.4126545053 1.0130365740
14
-0.0000000000 -0.0000000000 -0.0031558478
15
0.0000000000 -0.0025430483 0.0015779239
16
0.0000000000 0.0025430483 0.0015779239
17
6-31G** CISD H2O MP2 NONE
19
8.0000000000 -0.0000000000 -0.0000000000 -0.1253193290
20
1.0000000000 0.0000000000 1.4293283704 0.9944543466
21
1.0000000000 0.0000000000 -1.4293283704 0.9944543466
22
-0.0000000000 -0.0000000000 -0.0001242400
23
0.0000000000 0.0000169892 0.0000621200
24
0.0000000000 -0.0000169892 0.0000621200
25
6-31G** CISD H2O MP2 NONE
27
8.0000000000 -0.0000000000 -0.0000000000 -0.1252725798
28
1.0000000000 0.0000000000 1.4294773423 0.9940833746
29
1.0000000000 0.0000000000 -1.4294773423 0.9940833746
30
0.0000000000 0.0000000000 0.0000117969
31
-0.0000000000 -0.0000082374 -0.0000058984
32
-0.0000000000 0.0000082374 -0.0000058984
33
6-31G** CISD H2O MP2 NONE
35
8.0000000000 -0.0000000000 -0.0000000000 -0.1252740136
36
1.0000000000 0.0000000000 1.4294918379 0.9940947525
37
1.0000000000 0.0000000000 -1.4294918379 0.9940947525
38
-0.0000000000 -0.0000000000 -0.0000003766
39
-0.0000000000 0.0000005257 0.0000001883
40
0.0000000000 -0.0000005257 0.0000001883
6
-0.0000000000 -0.0000000000 -0.0417111974
7
0.0000000000 0.0284992658 0.0208555987
8
0.0000000000 -0.0284992658 0.0208555987
9
6-31G** CISD H2O MP2 NONE
11
8.0000000000 0.0000000000 0.0000000000 -0.1276613425
12
1.0000000000 0.0000000000 1.4126834981 1.0130390736
13
1.0000000000 0.0000000000 -1.4126834981 1.0130390736
14
-0.0000000000 0.0000000000 -0.0031538296
15
-0.0000000000 -0.0025431532 0.0015769148
16
-0.0000000000 0.0025431532 0.0015769148
17
6-31G** CISD H2O MP2 NONE
19
8.0000000000 0.0000000000 0.0000000000 -0.1253203267
20
1.0000000000 0.0000000000 1.4293545637 0.9944622636
21
1.0000000000 0.0000000000 -1.4293545637 0.9944622636
22
-0.0000000000 -0.0000000000 -0.0001242258
23
-0.0000000000 0.0000169237 0.0000621129
24
-0.0000000000 -0.0000169237 0.0000621129
25
6-31G** CISD H2O MP2 NONE
27
8.0000000000 0.0000000000 0.0000000000 -0.1252735548
28
1.0000000000 0.0000000000 1.4295038100 0.9940911118
29
1.0000000000 0.0000000000 -1.4295038100 0.9940911118
30
-0.0000000000 -0.0000000000 0.0000117846
31
-0.0000000000 -0.0000082303 -0.0000058923
32
-0.0000000000 0.0000082303 -0.0000058923
33
6-31G** CISD H2O MP2 NONE
35
8.0000000000 0.0000000000 0.0000000000 -0.1252749867
36
1.0000000000 0.0000000000 1.4295182988 0.9941024745
37
1.0000000000 0.0000000000 -1.4295182988 0.9941024745
38
-0.0000000000 0.0000000000 -0.0000003776
39
-0.0000000000 0.0000005265 0.0000001888
40
-0.0000000000 -0.0000005265 0.0000001888