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	hartrees
Energy at 0K
Energy at 298.15K	0.048234
HF Energy	0.048234
Nuclear repulsion energy	193.223055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3048	36.49
2	A'	3188	3040	94.95
3	A'	3181	3034	20.26
4	A'	3175	3028	27.36
5	A'	3171	3024	36.59
6	A'	2151	2051	438.47
7	A'	1767	1685	57.81
8	A'	1755	1673	6.23
9	A'	1601	1526	32.28
10	A'	1573	1499	23.29
11	A'	1400	1335	138.52
12	A'	1379	1315	14.61
13	A'	1324	1262	1.19
14	A'	1241	1184	1.64
15	A'	1198	1142	0.67
16	A'	1189	1134	18.78
17	A'	1180	1125	2.21
18	A'	1102	1051	4.78
19	A'	928	885	26.19
20	A'	726	692	7.05
21	A'	654	624	0.02
22	A'	502	478	0.52
23	A'	262	250	0.98
24	A"	1013	966	0.21
25	A"	994	948	0.04
26	A"	966	921	2.64
27	A"	891	849	0.01
28	A"	803	766	79.52
29	A"	644	614	26.71
30	A"	473	451	2.67
31	A"	370	352	0.01
32	A"	203	193	0.16
33	A"	95	90	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.609
C2	-1.048	-0.332
C3	-0.769	-1.695
C4	0.554	-2.138
C5	1.599	-1.215
C6	1.332	0.153
N7	-0.216	2.050
O8	-1.300	2.459
H9	-2.093	0.019
H10	-1.593	-2.423
H11	0.773	-3.217
H12	2.643	-1.565
H13	2.167	0.873

	C1	C2	C3	C4	C5	C6	N7	O8	H9	H10	H11	H12	H13
C1		1.4082	2.4283	2.8023	2.4254	1.4083	1.4570	2.2612	2.1747	3.4252	3.9028	3.4218	2.1826
C2	1.4082		1.3914	2.4151	2.7911	2.4294	2.5225	2.8018	1.1024	2.1616	3.4119	3.8915	3.4330
C3	2.4283	1.3914		1.3956	2.4165	2.7978	3.7849	4.1874	2.1661	1.1003	2.1665	3.4138	3.8997
C4	2.8023	2.4151	1.3956		1.3946	2.4193	4.2580	4.9570	3.4154	2.1665	1.1005	2.1652	3.4152
C5	2.4254	2.7911	2.4165	1.3946		1.3931	3.7350	4.6799	3.8935	3.4138	2.1662	1.1004	2.1628
C6	1.4083	2.4294	2.7978	2.4193	1.3931		2.4485	3.4998	3.4283	3.8981	3.4156	2.1605	1.1019
N7	1.4570	2.5225	3.7849	4.2580	3.7350	2.4485		1.1589	2.7654	4.6803	5.3584	4.6084	2.6573
O8	2.2612	2.8018	4.1874	4.9570	4.6799	3.4998	1.1589		2.5653	4.8911	6.0424	5.6336	3.8124
H9	2.1747	1.1024	2.1661	3.4154	3.8935	3.4283	2.7654	2.5653		2.4934	4.3229	4.9939	4.3445
H10	3.4252	2.1616	1.1003	2.1665	3.4138	3.8981	4.6803	4.8911	2.4934		2.4955	4.3218	4.9999
H11	3.9028	3.4119	2.1665	1.1005	2.1662	3.4156	5.3584	6.0424	4.3229	2.4955		2.4947	4.3204
H12	3.4218	3.8915	3.4138	2.1652	1.1004	2.1605	4.6084	5.6336	4.9939	4.3218	2.4947		2.4838
H13	2.1826	3.4330	3.8997	3.4152	2.1628	1.1019	2.6573	3.8124	4.3445	4.9999	4.3204	2.4838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.307	C1	C2	H9	119.547
C1	C6	C5	119.948	C1	C6	H13	120.314
C1	N7	O8	119.196	C2	C1	C6	119.214
C2	C1	N7	123.375	C2	C3	C4	120.113
C2	C3	H10	119.892	C3	C2	H9	120.146
C3	C4	C5	120.003	C3	C4	H11	119.970
C4	C3	H10	119.996	C4	C5	C6	120.416
C4	C5	H12	119.949	C5	C4	H11	120.027
C5	C6	H13	119.737	C6	C1	N7	117.411
C6	C5	H12	119.635

All results from a given calculation for C₆H₅NO (nitrosobenzene)

using model chemistry: AM1

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: AM1

States and conformations

All results from a given calculation for C₆H₅NO (nitrosobenzene)