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	hartrees
Energy at 0K
Energy at 298.15K	0.075520
HF Energy	0.075520
Nuclear repulsion energy	190.606375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2766	2938	93.11
2	A'	2757	2929	235.90
3	A'	2747	2918	85.78
4	A'	2742	2913	82.16
5	A'	2741	2912	49.19
6	A'	1744	1852	327.83
7	A'	1635	1737	10.79
8	A'	1626	1727	141.43
9	A'	1484	1577	19.04
10	A'	1483	1576	55.49
11	A'	1294	1375	24.23
12	A'	1280	1360	215.09
13	A'	1236	1314	5.95
14	A'	1204	1279	7.24
15	A'	1154	1226	1.60
16	A'	1128	1199	34.90
17	A'	1092	1160	24.95
18	A'	1018	1082	13.45
19	A'	837	889	20.15
20	A'	648	689	5.60
21	A'	593	630	0.17
22	A'	443	471	1.65
23	A'	216	229	0.77
24	A"	992	1053	2.45
25	A"	976	1037	0.04
26	A"	948	1007	1.90
27	A"	880	935	0.01
28	A"	792	841	100.56
29	A"	609	647	23.21
30	A"	436	464	1.22
31	A"	349	371	0.01
32	A"	190	202	0.93
33	A"	89	95	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.597
C2	-1.061	-0.328
C3	-0.784	-1.694
C4	0.545	-2.138
C5	1.599	-1.220
C6	1.333	0.153
N7	-0.186	2.040
O8	-1.293	2.474
H9	-2.090	0.037
H10	-1.599	-2.417
H11	0.757	-3.208
H12	2.630	-1.572
H13	2.149	0.878

	C1	C2	C3	C4	C5	C6	N7	O8	H9	H10	H11	H12	H13
C1		1.4077	2.4212	2.7887	2.4200	1.4052	1.4553	2.2792	2.1630	3.4114	3.8789	3.4083	2.1676
C2	1.4077		1.3937	2.4201	2.8060	2.4423	2.5248	2.8116	1.0914	2.1568	3.4055	3.8947	3.4296
C3	2.4212	1.3937		1.4016	2.4304	2.8096	3.7817	4.1988	2.1685	1.0889	2.1602	3.4160	3.9012
C4	2.7887	2.4201	1.4016		1.3984	2.4226	4.2417	4.9647	3.4169	2.1617	1.0902	2.1600	3.4160
C5	2.4200	2.8060	2.4304	1.3984		1.3976	3.7163	4.6908	3.8972	3.4148	2.1592	1.0888	2.1680
C6	1.4052	2.4423	2.8096	2.4226	1.3976		2.4227	3.5047	3.4247	3.8985	3.4093	2.1574	1.0916
N7	1.4553	2.5248	3.7817	4.2417	3.7163	2.4227		1.1888	2.7629	4.6756	5.3316	4.5794	2.6084
O8	2.2792	2.8116	4.1988	4.9647	4.6908	3.5047	1.1888		2.5633	4.9004	6.0399	5.6348	3.7941
H9	2.1630	1.0914	2.1685	3.4169	3.8972	3.4247	2.7629	2.5633		2.5032	4.3167	4.9860	4.3213
H10	3.4114	2.1568	1.0889	2.1617	3.4148	3.8985	4.6756	4.9004	2.5032		2.4848	4.3118	4.9901
H11	3.8789	3.4055	2.1602	1.0902	2.1592	3.4093	5.3316	6.0399	4.3167	2.4848		2.4864	4.3160
H12	3.4083	3.8947	3.4160	2.1600	1.0888	2.1574	4.5794	5.6348	4.9860	4.3118	2.4864		2.4961
H13	2.1676	3.4296	3.9012	3.4160	2.1680	1.0916	2.6084	3.7941	4.3213	4.9901	4.3160	2.4961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.605	C1	C2	H9	119.349
C1	C6	C5	119.397	C1	C6	H13	119.963
C1	N7	O8	118.738	C2	C1	C6	120.511
C2	C1	N7	123.735	C2	C3	C4	119.941
C2	C3	H10	120.134	C3	C2	H9	121.046
C3	C4	C5	120.451	C3	C4	H11	119.687
C4	C3	H10	119.925	C4	C5	C6	120.095
C4	C5	H12	120.044	C5	C4	H11	119.862
C5	C6	H13	120.640	C6	C1	N7	115.754
C6	C5	H12	119.861

All results from a given calculation for C₆H₅NO (nitrosobenzene)

using model chemistry: PM6

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C6H5NO (nitrosobenzene)

using model chemistry: PM6

States and conformations

All results from a given calculation for C₆H₅NO (nitrosobenzene)