1
STO-3G SCF H2O optimization using exterma/zmatrix SCF FIRST
3
6.0000000000 -1.2377705225 0.0000000000 0.0000000000
4
6.0000000000 1.2377705225 0.0000000000 -0.0000000000
5
1.0000000000 -2.3192849044 1.7307848090 0.0000000000
6
1.0000000000 -2.3192849044 -1.7307848090 -0.0000000000
7
1.0000000000 2.3192849044 -1.7307848090 -0.0000000000
8
1.0000000000 2.3192849044 1.7307848090 0.0000000000
9
-0.0091613558 0.0000000000 0.0000000000
10
0.0091613558 -0.0000000000 0.0000000000
11
0.0013780438 -0.0012278541 -0.0000000000
12
0.0013780438 0.0012278541 0.0000000000
13
-0.0013780438 0.0012278541 -0.0000000000
14
-0.0013780438 -0.0012278541 0.0000000000
15
STO-3G SCF H2O optimization using exterma/zmatrix SCF FIRST
17
6.0000000000 -1.2343416939 0.0000000000 0.0000000000
18
6.0000000000 1.2343416939 0.0000000000 0.0000000000
19
1.0000000000 -2.3238704074 1.7358858481 0.0000000000
20
1.0000000000 -2.3238704074 -1.7358858481 -0.0000000000
21
1.0000000000 2.3238704074 -1.7358858481 -0.0000000000
22
1.0000000000 2.3238704074 1.7358858481 0.0000000000
23
0.0016101275 0.0000000000 0.0000000000
24
-0.0016101275 -0.0000000000 -0.0000000000
25
-0.0010102488 0.0021372651 0.0000000000
26
-0.0010102488 -0.0021372651 -0.0000000000
27
0.0010102488 -0.0021372651 -0.0000000000
28
0.0010102488 0.0021372651 -0.0000000000
29
STO-3G SCF H2O optimization using exterma/zmatrix SCF FIRST
31
6.0000000000 -1.2334835270 0.0000000000 0.0000000000
32
6.0000000000 1.2334835270 0.0000000000 0.0000000000
33
1.0000000000 -2.3219771746 1.7304157118 0.0000000000
34
1.0000000000 -2.3219771746 -1.7304157118 -0.0000000000
35
1.0000000000 2.3219771746 -1.7304157118 -0.0000000000
36
1.0000000000 2.3219771746 1.7304157118 0.0000000000
37
0.0007615959 0.0000000000 0.0000000000
38
-0.0007615959 0.0000000000 0.0000000000
39
0.0001227218 -0.0001236305 0.0000000000
40
0.0001227218 0.0001236305 -0.0000000000
41
-0.0001227218 0.0001236305 0.0000000000
42
-0.0001227218 -0.0001236305 0.0000000000
43
STO-3G SCF H2O optimization using exterma/zmatrix SCF FIRST
45
6.0000000000 -1.2341036451 0.0000000000 0.0000000000
46
6.0000000000 1.2341036451 0.0000000000 0.0000000000
47
1.0000000000 -2.3228771557 1.7306276051 0.0000000000
48
1.0000000000 -2.3228771557 -1.7306276051 -0.0000000000
49
1.0000000000 2.3228771557 -1.7306276051 -0.0000000000
50
1.0000000000 2.3228771557 1.7306276051 0.0000000000
51
-0.0001703502 0.0000000000 0.0000000000
52
0.0001703502 0.0000000000 -0.0000000000
53
0.0000103920 -0.0000087693 0.0000000000
54
0.0000103920 0.0000087693 0.0000000000
55
-0.0000103920 0.0000087693 0.0000000000
56
-0.0000103920 -0.0000087693 0.0000000000
57
STO-3G SCF H2O optimization using exterma/zmatrix SCF FIRST
59
6.0000000000 -1.2340196878 0.0000000000 0.0000000000
60
6.0000000000 1.2340196878 0.0000000000 0.0000000000
61
1.0000000000 -2.3228612585 1.7306216688 0.0000000000
62
1.0000000000 -2.3228612585 -1.7306216688 -0.0000000000
63
1.0000000000 2.3228612585 -1.7306216688 -0.0000000000
64
1.0000000000 2.3228612585 1.7306216688 0.0000000000
65
0.0000015106 0.0000000000 0.0000000000
66
-0.0000015106 0.0000000000 -0.0000000000
67
-0.0000001530 0.0000019309 0.0000000000
68
-0.0000001530 -0.0000019309 0.0000000000
69
0.0000001530 -0.0000019309 0.0000000000
70
0.0000001530 0.0000019309 0.0000000000