WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	NO₂(1+)
Symmetry	D*H
Basis	6-311+G(2d,p)
RM062X Energy	-204.697163633 Hartree
Dipole Moment	0.0000 Debye
Server	batch (127047)
CPU time	38.6 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	0.0000000	0.00000000000
b	12.8628394	0.42905813861
c	12.8628394	0.42905813861

Partial Charges

Atom	Symbol	Charge
1	N	0.574373
2	O	0.212814
3	O	0.212814

Molecular Orbitals

Display Range		- / 81
Orbital	Symmetry	Occupancy	Energy	Actions
1	SGU	2	-20.16011 Hartree
2	SGG	2	-20.16006 Hartree
3	SGG	2	-15.44446 Hartree
4	SGG	2	-1.86570 Hartree
5	SGU	2	-1.74401 Hartree
6	SGG	2	-1.11305 Hartree
7	PIU	2	-1.08500 Hartree
8	PIU	2	-1.08500 Hartree
9	SGU	2	-1.04156 Hartree
10	PIG	2	-0.83592 Hartree
11	PIG	2	-0.83592 Hartree
12	PIU	0	-0.34823 Hartree
13	PIU	0	-0.34823 Hartree
14	SGG	0	-0.23473 Hartree
15	PIU	0	-0.11376 Hartree
16	PIU	0	-0.11376 Hartree
17	SGU	0	-0.10078 Hartree
18	SGG	0	-0.08199 Hartree
19	SGG	0	-0.02661 Hartree
20	PIG	0	-0.00486 Hartree
21	PIG	0	-0.00486 Hartree
22	SGU	0	0.05114 Hartree
23	PIU	0	0.10088 Hartree
24	PIU	0	0.10088 Hartree
25	SGG	0	0.13858 Hartree
26	SGU	0	0.18195 Hartree
27	PIU	0	0.43395 Hartree
28	PIU	0	0.43395 Hartree
29	SGU	0	0.46192 Hartree
30	DLTG	0	0.51496 Hartree
31	DLTG	0	0.51496 Hartree
32	SGG	0	0.66013 Hartree
33	SGU	0	0.69801 Hartree
34	PIG	0	0.70691 Hartree
35	PIG	0	0.70691 Hartree
36	SGG	0	0.71101 Hartree
37	PIU	0	0.86953 Hartree
38	PIU	0	0.86953 Hartree
39	PIG	0	0.88362 Hartree
40	PIG	0	0.88362 Hartree
41	SGU	0	0.91132 Hartree
42	SGG	0	1.10508 Hartree
43	DLTU	0	1.10952 Hartree
44	DLTU	0	1.10954 Hartree
45	DLTG	0	1.41341 Hartree
46	DLTG	0	1.41343 Hartree
47	SGU	0	1.61556 Hartree
48	PIU	0	1.68713 Hartree
49	PIU	0	1.68713 Hartree
50	SGG	0	2.16039 Hartree
51	PIG	0	2.32409 Hartree
52	PIG	0	2.32409 Hartree
53	SGU	0	2.45277 Hartree
54	SGG	0	2.49798 Hartree
55	PIU	0	3.40930 Hartree
56	PIU	0	3.40930 Hartree
57	SGU	0	4.19150 Hartree
58	DLTG	0	4.19656 Hartree
59	DLTG	0	4.19660 Hartree
60	PIG	0	4.28797 Hartree
61	PIG	0	4.28797 Hartree
62	SGG	0	4.37324 Hartree
63	PIU	0	4.70158 Hartree
64	PIU	0	4.70158 Hartree
65	PIG	0	4.88194 Hartree
66	PIG	0	4.88194 Hartree
67	SGG	0	5.51163 Hartree
68	SGU	0	6.07531 Hartree
69	DLTU	0	6.23726 Hartree
70	DLTU	0	6.23729 Hartree
71	DLTG	0	6.32716 Hartree
72	DLTG	0	6.32720 Hartree
73	PIU	0	6.52379 Hartree
74	PIU	0	6.52379 Hartree
75	SGU	0	6.56661 Hartree
76	PIG	0	6.62090 Hartree
77	PIG	0	6.62090 Hartree
78	SGG	0	7.16812 Hartree
79	SGG	0	35.35847 Hartree
80	SGU	0	49.67354 Hartree
81	SGG	0	49.79009 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	N	0.89040
2	O	0.05480
3	O	0.05480

Natural Atomic Orbitals

Display Range		- / 81
Orbital	Description	Occupancy	Energy	Actions
1	N1 Cor(1s)	1.999996426	-15.444417431 Hartree
2	N1 Val(2s)	0.941242891	-0.784033366 Hartree
3	N1 Ryd(3s)	0.000029133	23.735232494 Hartree
4	N1 Ryd(5s)	0.000000000	1.000402878 Hartree
5	N1 Ryd(4s)	0.000000658	6.389971458 Hartree
6	N1 Val(2p)	1.052417871	-0.716431615 Hartree
7	N1 Ryd(3p)	0.000577629	0.603274877 Hartree
8	N1 Ryd(4p)	0.000049303	2.263112996 Hartree
9	N1 Ryd(5p)	0.000000000	1.074483998 Hartree
10	N1 Val(2p)	1.052417871	-0.716431615 Hartree
11	N1 Ryd(3p)	0.000577629	0.603274877 Hartree
12	N1 Ryd(4p)	0.000049303	2.263112996 Hartree
13	N1 Ryd(5p)	0.000000000	1.074483998 Hartree
14	N1 Val(2p)	1.026450350	-0.546166602 Hartree
15	N1 Ryd(3p)	0.017902708	0.957746922 Hartree
16	N1 Ryd(4p)	0.000270825	6.471109185 Hartree
17	N1 Ryd(5p)	0.000000061	3.603636531 Hartree
18	N1 Ryd(3d)	0.000000000	1.414997364 Hartree
19	N1 Ryd(4d)	0.000000000	3.538205046 Hartree
20	N1 Ryd(3d)	0.007629812	2.371852266 Hartree
21	N1 Ryd(4d)	0.000014965	3.758366063 Hartree
22	N1 Ryd(3d)	0.007629812	2.371852266 Hartree
23	N1 Ryd(4d)	0.000014965	3.758366064 Hartree
24	N1 Ryd(4d)	0.000000000	1.414987040 Hartree
25	N1 Ryd(3d)	0.000000000	3.538174096 Hartree
26	N1 Ryd(3d)	0.001927538	2.813773082 Hartree
27	N1 Ryd(4d)	0.000397536	4.275646848 Hartree
28	O2 Cor(1s)	1.999994171	-20.158650530 Hartree
29	O2 Val(2s)	1.719997988	-1.205197735 Hartree
30	O2 Ryd(3s)	0.000745392	2.242795503 Hartree
31	O2 Ryd(4s)	0.000073459	4.191896172 Hartree
32	O2 Ryd(5s)	0.000000063	44.142432799 Hartree
33	O2 Val(2p)	1.458758510	-0.750198751 Hartree
34	O2 Ryd(3p)	0.001710671	0.566050022 Hartree
35	O2 Ryd(4p)	0.000011853	1.391816055 Hartree
36	O2 Ryd(5p)	0.000008693	3.606959887 Hartree
37	O2 Val(2p)	1.458758510	-0.750198751 Hartree
38	O2 Ryd(3p)	0.001710671	0.566050022 Hartree
39	O2 Ryd(4p)	0.000011853	1.391816055 Hartree
40	O2 Ryd(5p)	0.000008693	3.606959886 Hartree
41	O2 Val(2p)	1.276599817	-0.680158021 Hartree
42	O2 Ryd(4p)	0.000388836	0.710077405 Hartree
43	O2 Ryd(3p)	0.000464088	1.514684565 Hartree
44	O2 Ryd(5p)	0.000038479	4.369108861 Hartree
45	O2 Ryd(3d)	0.000000000	1.324484968 Hartree
46	O2 Ryd(4d)	0.000000000	6.098366294 Hartree
47	O2 Ryd(3d)	0.009105222	1.628082608 Hartree
48	O2 Ryd(4d)	0.000060261	6.401883469 Hartree
49	O2 Ryd(3d)	0.009105222	1.628082608 Hartree
50	O2 Ryd(4d)	0.000060261	6.401883469 Hartree
51	O2 Ryd(4d)	0.000000000	1.324488512 Hartree
52	O2 Ryd(3d)	0.000000000	6.098414029 Hartree
53	O2 Ryd(3d)	0.007512624	2.229676179 Hartree
54	O2 Ryd(4d)	0.000076021	6.597529645 Hartree
55	O3 Cor(1s)	1.999994171	-20.158650530 Hartree
56	O3 Val(2s)	1.719997988	-1.205197735 Hartree
57	O3 Ryd(3s)	0.000745392	2.242795480 Hartree
58	O3 Ryd(4s)	0.000073459	4.191896218 Hartree
59	O3 Ryd(5s)	0.000000063	44.142432752 Hartree
60	O3 Val(2p)	1.458758510	-0.750198751 Hartree
61	O3 Ryd(3p)	0.001710671	0.566050021 Hartree
62	O3 Ryd(4p)	0.000011853	1.391816054 Hartree
63	O3 Ryd(5p)	0.000008693	3.606959899 Hartree
64	O3 Val(2p)	1.458758510	-0.750198751 Hartree
65	O3 Ryd(3p)	0.001710671	0.566050021 Hartree
66	O3 Ryd(4p)	0.000011853	1.391816054 Hartree
67	O3 Ryd(5p)	0.000008693	3.606959899 Hartree
68	O3 Val(2p)	1.276599817	-0.680158021 Hartree
69	O3 Ryd(4p)	0.000388836	0.710077404 Hartree
70	O3 Ryd(3p)	0.000464088	1.514684564 Hartree
71	O3 Ryd(5p)	0.000038479	4.369108864 Hartree
72	O3 Ryd(3d)	0.000000000	1.324484967 Hartree
73	O3 Ryd(4d)	0.000000000	6.098366307 Hartree
74	O3 Ryd(3d)	0.009105222	1.628082607 Hartree
75	O3 Ryd(4d)	0.000060261	6.401883471 Hartree
76	O3 Ryd(3d)	0.009105222	1.628082607 Hartree
77	O3 Ryd(4d)	0.000060261	6.401883471 Hartree
78	O3 Ryd(4d)	0.000000000	1.324488511 Hartree
79	O3 Ryd(3d)	0.000000000	6.098414019 Hartree
80	O3 Ryd(3d)	0.007512624	2.229676178 Hartree
81	O3 Ryd(4d)	0.000076021	6.597529645 Hartree

Natural Hybrid Orbitals

Display Range		- / 81
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)N1 s(100.00%)	1.999996426	-15.444417431 Hartree
2	CR(1)O2 s(100.00%)	1.999994171	-20.158650530 Hartree
3	CR(1)O3 s(100.00%)	1.999994171	-20.158650530 Hartree
4	LP(1)O2 s(72.90%)p0.37(27.04%)d0.00(0.06%)	1.978632120	-1.180394478 Hartree
5	LP(1)O3 s(72.90%)p0.37(27.04%)d0.00(0.06%)	1.978632120	-1.180394478 Hartree
6	LP(2)O3 s(0.00%)p1.00(99.38%)d0.01(0.62%)	1.467895765	-0.753795897 Hartree
7	LP(3)O3 s(0.00%)p1.00(99.38%)d0.01(0.62%)	1.467895765	-0.753795897 Hartree
8	BD(1)N1(O2) 1s(49.90%)p1.00(50.00%)d0.00(0.10%)	0.986004822	-0.655506006 Hartree
9	BD(1)O2(N1) 2s(27.11%)p2.67(72.27%)d0.02(0.62%)	1.026619377	-0.689118049 Hartree
10	BD(2)N1(O2) 1s(0.00%)p1.00(99.66%)d0.00(0.34%)	1.049457062	-0.709227465 Hartree
11	BD(2)O2(N1) 2s(0.00%)p1.00(99.41%)d0.01(0.59%)	1.467639923	-0.752861811 Hartree
12	BD(3)N1(O2) 1s(0.00%)p1.00(99.66%)d0.00(0.34%)	1.049457062	-0.709227465 Hartree
13	BD(3)O2(N1) 2s(0.00%)p1.00(99.41%)d0.01(0.59%)	1.467639923	-0.752861811 Hartree
14	BD(1)N1(O3) 1s(49.90%)p1.00(50.00%)d0.00(0.10%)	0.986004822	-0.655506006 Hartree
15	BD(1)O3(N1) 3s(27.11%)p2.67(72.27%)d0.02(0.62%)	1.026619377	-0.689118049 Hartree
16	RY(1)N1 s(0.00%)p1.00(100.00%)	0.015662433	1.011638471 Hartree
17	RY(2)N1 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.011232517	2.276734524 Hartree
18	RY(3)N1 s(0.00%)p1.00(0.34%)d99.99(99.66%)	0.011232517	2.276734524 Hartree
19	RY(4)N1 s(5.48%)p0.00(0.00%)d17.24(94.52%)	0.000548109	5.095015567 Hartree
20	RY(5)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	2.263165992 Hartree
21	RY(6)N1 s(0.00%)p1.00(100.00%)	0.000000000	1.074483869 Hartree
22	RY(7)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.606336313 Hartree
23	RY(8)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	2.263165992 Hartree
24	RY(9)N1 s(0.00%)p1.00(100.00%)	0.000000000	1.074483869 Hartree
25	RY(10)N1 s(85.51%)p0.00(0.00%)d0.17(14.49%)	0.000000000	8.921486627 Hartree
26	RY(11)N1 s(0.00%)p1.00(100.00%)	0.000000438	4.095776529 Hartree
27	RY(12)N1 s(0.00%)p1.00(100.00%)	0.000000000	5.924619395 Hartree
28	RY(13)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.414997364 Hartree
29	RY(14)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	3.538205046 Hartree
30	RY(15)N1 s(92.29%)p0.00(0.00%)d0.08(7.71%)	0.000000000	3.498129938 Hartree
31	RY(16)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	3.843165353 Hartree
32	RY(17)N1 s(71.98%)p0.00(0.00%)d0.39(28.02%)	0.000000853	5.423036149 Hartree
33	RY(18)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	3.843165353 Hartree
34	RY(19)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.414987040 Hartree
35	RY(20)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	3.538174096 Hartree
36	RY(21)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.606336313 Hartree
37	RY(22)N1 s(44.94%)p0.00(0.00%)d1.23(55.06%)	0.000000221	15.258628766 Hartree
38	RY(1)O2 s(0.00%)p1.00(95.57%)d0.05(4.43%)	0.002015288	0.764369619 Hartree
39	RY(2)O2 s(0.00%)p1.00(95.57%)d0.05(4.43%)	0.002015288	0.764369619 Hartree
40	RY(3)O2 s(16.76%)p4.64(77.80%)d0.32(5.44%)	0.000611039	1.123562557 Hartree
41	RY(4)O2 s(39.15%)p0.50(19.69%)d1.05(41.16%)	0.000029528	4.161918541 Hartree
42	RY(5)O2 s(4.83%)p17.09(82.53%)d2.62(12.64%)	0.000003994	3.217638521 Hartree
43	RY(6)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	1.375498846 Hartree
44	RY(7)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	3.602491976 Hartree
45	RY(8)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	1.375498846 Hartree
46	RY(9)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	3.602491975 Hartree
47	RY(10)O2 s(10.96%)p4.12(45.13%)d4.01(43.91%)	0.000000000	6.436044907 Hartree
48	RY(11)O2 s(79.61%)p0.23(18.54%)d0.02(1.84%)	0.000000000	33.685382496 Hartree
49	RY(12)O2 s(25.95%)p1.40(36.26%)d1.46(37.79%)	0.000000224	12.046294922 Hartree
50	RY(13)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.324484968 Hartree
51	RY(14)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	6.098366294 Hartree
52	RY(15)O2 s(0.00%)p1.00(2.10%)d46.69(97.90%)	0.000000000	1.581126535 Hartree
53	RY(16)O2 s(0.00%)p1.00(2.92%)d33.20(97.08%)	0.000000000	6.273968125 Hartree
54	RY(17)O2 s(0.00%)p1.00(2.10%)d46.69(97.90%)	0.000000000	1.581126535 Hartree
55	RY(18)O2 s(0.00%)p1.00(2.92%)d33.20(97.08%)	0.000000000	6.273968125 Hartree
56	RY(19)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.324488512 Hartree
57	RY(20)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	6.098414029 Hartree
58	RY(21)O2 s(55.35%)p0.14(7.77%)d0.67(36.88%)	0.000000484	3.646507313 Hartree
59	RY(22)O2 s(67.37%)p0.19(12.96%)d0.29(19.66%)	0.000000000	1.665008641 Hartree
60	RY(1)O3 s(0.00%)p1.00(95.60%)d0.05(4.40%)	0.001759445	0.765303701 Hartree
61	RY(2)O3 s(0.00%)p1.00(95.60%)d0.05(4.40%)	0.001759445	0.765303701 Hartree
62	RY(3)O3 s(16.76%)p4.64(77.80%)d0.32(5.44%)	0.000611039	1.123562573 Hartree
63	RY(4)O3 s(39.15%)p0.50(19.69%)d1.05(41.16%)	0.000029528	4.161918542 Hartree
64	RY(5)O3 s(4.83%)p17.09(82.53%)d2.62(12.64%)	0.000003994	3.217638497 Hartree
65	RY(6)O3 s(0.00%)p1.00(100.00%)	0.000000000	3.602489163 Hartree
66	RY(7)O3 s(25.95%)p1.40(36.26%)d1.46(37.79%)	0.000000224	12.046296547 Hartree
67	RY(8)O3 s(60.71%)p0.61(36.83%)d0.04(2.46%)	0.000000000	27.530267646 Hartree
68	RY(9)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	1.376110476 Hartree
69	RY(10)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	3.604139584 Hartree
70	RY(11)O3 s(71.76%)p0.12(8.61%)d0.27(19.63%)	0.000000000	1.695569017 Hartree
71	RY(12)O3 s(0.00%)p1.00(100.00%)	0.000000000	1.375502438 Hartree
72	RY(13)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.324484967 Hartree
73	RY(14)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	6.098366307 Hartree
74	RY(15)O3 s(0.00%)p1.00(2.10%)d46.69(97.90%)	0.000000000	1.581125763 Hartree
75	RY(16)O3 s(0.00%)p1.00(2.92%)d33.20(97.08%)	0.000000000	6.273968132 Hartree
76	RY(17)O3 s(0.00%)p1.00(2.01%)d48.78(97.99%)	0.000000000	1.613946543 Hartree
77	RY(18)O3 s(0.00%)p1.00(3.02%)d32.13(96.98%)	0.000000000	6.238888894 Hartree
78	RY(19)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.324488511 Hartree
79	RY(20)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	6.098414019 Hartree
80	RY(21)O3 s(55.35%)p0.14(7.77%)d0.67(36.88%)	0.000000484	3.646507607 Hartree
81	RY(22)O3 s(25.49%)p1.22(31.19%)d1.70(43.32%)	0.000000000	12.560597447 Hartree

Natural Bond Orbitals

Display Range		- / 81
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)N1	1	1.999996426	-15.444417431 Hartree
2	CR(1)O2	2	1.999994171	-20.158650530 Hartree
3	CR(1)O3	3	1.999994171	-20.158650530 Hartree
4	LP(1)O2	4	1.978632120	-1.180394478 Hartree
5	LP(1)O3	5	1.978632120	-1.180394478 Hartree
6	LP(2)O3	6	1.467895765	-0.753795897 Hartree
7	LP(3)O3	7	1.467895765	-0.753795897 Hartree
8	BD(1)N1-O2	8, 9	1.998552723	-1.681188460 Hartree
9	BD(2)N1-O2	10, 11	1.998240555	-1.003298917 Hartree
10	BD(3)N1-O2	12, 13	1.998240555	-1.003298917 Hartree
11	BD(1)N1-O3	14, 15	1.998552723	-1.681188460 Hartree
12	BD*(1)N1-O2		0.014071476	0.336564405 Hartree
13	BD*(2)N1-O2		0.518856430	-0.458790359 Hartree
14	BD*(3)N1-O2		0.518856430	-0.458790359 Hartree
15	BD*(1)N1-O3		0.014071476	0.336564405 Hartree
16	RY(1)N1	16	0.015662433	1.011638471 Hartree
17	RY(2)N1	17	0.011232517	2.276734524 Hartree
18	RY(3)N1	18	0.011232517	2.276734524 Hartree
19	RY(4)N1	19	0.000548109	5.095015567 Hartree
20	RY(5)N1	20	0.000000000	2.263165992 Hartree
21	RY(6)N1	21	0.000000000	1.074483869 Hartree
22	RY(7)N1	22	0.000000000	0.606336313 Hartree
23	RY(8)N1	23	0.000000000	2.263165992 Hartree
24	RY(9)N1	24	0.000000000	1.074483869 Hartree
25	RY(10)N1	25	0.000000000	8.921486627 Hartree
26	RY(11)N1	26	0.000000438	4.095776529 Hartree
27	RY(12)N1	27	0.000000000	5.924619395 Hartree
28	RY(13)N1	28	0.000000000	1.414997364 Hartree
29	RY(14)N1	29	0.000000000	3.538205046 Hartree
30	RY(15)N1	30	0.000000000	3.498129938 Hartree
31	RY(16)N1	31	0.000000000	3.843165353 Hartree
32	RY(17)N1	32	0.000000853	5.423036149 Hartree
33	RY(18)N1	33	0.000000000	3.843165353 Hartree
34	RY(19)N1	34	0.000000000	1.414987040 Hartree
35	RY(20)N1	35	0.000000000	3.538174096 Hartree
36	RY(21)N1	36	0.000000000	0.606336313 Hartree
37	RY(22)N1	37	0.000000221	15.258628766 Hartree
38	RY(1)O2	38	0.002015288	0.764369619 Hartree
39	RY(2)O2	39	0.002015288	0.764369619 Hartree
40	RY(3)O2	40	0.000611039	1.123562557 Hartree
41	RY(4)O2	41	0.000029528	4.161918541 Hartree
42	RY(5)O2	42	0.000003994	3.217638521 Hartree
43	RY(6)O2	43	0.000000000	1.375498846 Hartree
44	RY(7)O2	44	0.000000000	3.602491976 Hartree
45	RY(8)O2	45	0.000000000	1.375498846 Hartree
46	RY(9)O2	46	0.000000000	3.602491975 Hartree
47	RY(10)O2	47	0.000000000	6.436044907 Hartree
48	RY(11)O2	48	0.000000000	33.685382496 Hartree
49	RY(12)O2	49	0.000000224	12.046294922 Hartree
50	RY(13)O2	50	0.000000000	1.324484968 Hartree
51	RY(14)O2	51	0.000000000	6.098366294 Hartree
52	RY(15)O2	52	0.000000000	1.581126535 Hartree
53	RY(16)O2	53	0.000000000	6.273968125 Hartree
54	RY(17)O2	54	0.000000000	1.581126535 Hartree
55	RY(18)O2	55	0.000000000	6.273968125 Hartree
56	RY(19)O2	56	0.000000000	1.324488512 Hartree
57	RY(20)O2	57	0.000000000	6.098414029 Hartree
58	RY(21)O2	58	0.000000484	3.646507313 Hartree
59	RY(22)O2	59	0.000000000	1.665008641 Hartree
60	RY(1)O3	60	0.001759445	0.765303701 Hartree
61	RY(2)O3	61	0.001759445	0.765303701 Hartree
62	RY(3)O3	62	0.000611039	1.123562573 Hartree
63	RY(4)O3	63	0.000029528	4.161918542 Hartree
64	RY(5)O3	64	0.000003994	3.217638497 Hartree
65	RY(6)O3	65	0.000000000	3.602489163 Hartree
66	RY(7)O3	66	0.000000224	12.046296547 Hartree
67	RY(8)O3	67	0.000000000	27.530267646 Hartree
68	RY(9)O3	68	0.000000000	1.376110476 Hartree
69	RY(10)O3	69	0.000000000	3.604139584 Hartree
70	RY(11)O3	70	0.000000000	1.695569017 Hartree
71	RY(12)O3	71	0.000000000	1.375502438 Hartree
72	RY(13)O3	72	0.000000000	1.324484967 Hartree
73	RY(14)O3	73	0.000000000	6.098366307 Hartree
74	RY(15)O3	74	0.000000000	1.581125763 Hartree
75	RY(16)O3	75	0.000000000	6.273968132 Hartree
76	RY(17)O3	76	0.000000000	1.613946543 Hartree
77	RY(18)O3	77	0.000000000	6.238888894 Hartree
78	RY(19)O3	78	0.000000000	1.324488511 Hartree
79	RY(20)O3	79	0.000000000	6.098414019 Hartree
80	RY(21)O3	80	0.000000484	3.646507607 Hartree
81	RY(22)O3	81	0.000000000	12.560597447 Hartree

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SUCCESS IS NEVER CERTAIN, FAILURE IS NEVER FINAL.

WebMO Job Summary

124608: NO2(+1), Natural Bond Orbitals 6.0/NRT - Gaussian

Calculated Quantities

Overview

Rotational Constants

Partial Charges

Molecular Orbitals

Natural Population Analysis

Natural Atomic Orbitals

Natural Hybrid Orbitals

Natural Bond Orbitals

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