1 |
CR(1)C1 s(100.00%) |
1.999996827 |
-9.867144570 Hartree |
|
|
2 |
CR(1)N2 s(100.00%) |
1.999999142 |
-14.003892440 Hartree |
|
|
3 |
LP(1)C1 s(66.63%)p0.50(33.35%)d0.00(0.02%) |
1.996456083 |
-0.032218375 Hartree |
|
|
4 |
LP(1)N2 s(50.23%)p0.99(49.69%)d0.00(0.08%) |
1.987589095 |
-0.110457783 Hartree |
|
|
5 |
BD(1)C1(N2) 1s(35.09%)p1.84(64.72%)d0.01(0.20%) |
0.751652093 |
0.558026821 Hartree |
|
|
6 |
BD(1)N2(C1) 2s(50.10%)p0.99(49.38%)d0.01(0.52%) |
1.248347971 |
0.137878905 Hartree |
|
|
7 |
BD(2)C1(N2) 1s(0.00%)p1.00(99.74%)d0.00(0.26%) |
0.742812235 |
0.245425014 Hartree |
|
|
8 |
BD(2)N2(C1) 2s(0.00%)p1.00(99.75%)d0.00(0.25%) |
1.257187765 |
0.138073441 Hartree |
|
|
9 |
BD(3)C1(N2) 1s(0.00%)p1.00(99.74%)d0.00(0.26%) |
0.742812235 |
0.245425014 Hartree |
|
|
10 |
BD(3)N2(C1) 2s(0.00%)p1.00(99.75%)d0.00(0.25%) |
1.257187765 |
0.138073441 Hartree |
|
|
11 |
RY(1)C1 s(42.07%)p1.37(57.81%)d0.00(0.13%) |
0.012412026 |
0.919711249 Hartree |
|
|
12 |
RY(2)C1 s(26.26%)p0.63(16.51%)d2.18(57.23%) |
0.000001760 |
2.132059064 Hartree |
|
|
13 |
RY(3)C1 s(87.11%)p0.05(4.40%)d0.10(8.49%) |
0.000000000 |
3.907324778 Hartree |
|
|
14 |
RY(4)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) |
0.000000000 |
0.853734803 Hartree |
|
|
15 |
RY(5)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%) |
0.000000000 |
0.853734803 Hartree |
|
|
16 |
RY(6)C1 s(42.85%)p0.54(23.21%)d0.79(33.94%) |
0.000000055 |
1.937530481 Hartree |
|
|
17 |
RY(7)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) |
0.000000000 |
2.077255963 Hartree |
|
|
18 |
RY(8)C1 s(0.00%)p1.00(0.26%)d99.99(99.74%) |
0.000000000 |
2.473599382 Hartree |
|
|
19 |
RY(9)C1 s(0.00%)p1.00(0.26%)d99.99(99.74%) |
0.000000000 |
2.473599382 Hartree |
|
|
20 |
RY(10)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%) |
0.000000000 |
2.077254774 Hartree |
|
|
21 |
RY(1)N2 s(54.94%)p0.61(33.48%)d0.21(11.59%) |
0.003544304 |
1.444870497 Hartree |
|
|
22 |
RY(2)N2 s(47.19%)p0.32(14.98%)d0.80(37.83%) |
0.000000000 |
3.251469404 Hartree |
|
|
23 |
RY(3)N2 s(0.00%)p1.00(100.00%)d0.00(0.00%) |
0.000000000 |
1.043093195 Hartree |
|
|
24 |
RY(4)N2 s(0.00%)p1.00(100.00%)d0.00(0.00%) |
0.000000000 |
1.043093195 Hartree |
|
|
25 |
RY(5)N2 s(45.81%)p1.09(49.98%)d0.09(4.21%) |
0.000000595 |
1.335458292 Hartree |
|
|
26 |
RY(6)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) |
0.000000000 |
2.065914569 Hartree |
|
|
27 |
RY(7)N2 s(0.00%)p1.00(0.25%)d99.99(99.75%) |
0.000000000 |
2.274780371 Hartree |
|
|
28 |
RY(8)N2 s(0.00%)p1.00(0.25%)d99.99(99.75%) |
0.000000000 |
2.274780371 Hartree |
|
|
29 |
RY(9)N2 s(0.00%)p0.00(0.00%)d1.00(100.00%) |
0.000000000 |
2.065914348 Hartree |
|
|
30 |
RY(10)N2 s(51.73%)p0.05(2.50%)d0.88(45.77%) |
0.000000049 |
3.056327090 Hartree |
|
|