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	hartrees
Energy at 0K	-360.558186
Energy at 298.15K
HF Energy	-359.338927
Nuclear repulsion energy	322.793098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3220	3125
2	A'	3208	3114
3	A'	3198	3104
4	A'	3191	3097
5	A'	3180	3087
6	A'	1665	1616
7	A'	1659	1610
8	A'	1557	1511
9	A'	1518	1474
10	A'	1495	1451
11	A'	1365	1325
12	A'	1347	1307
13	A'	1215	1179
14	A'	1202	1167
15	A'	1154	1120
16	A'	1109	1077
17	A'	1046	1015
18	A'	1015	986
19	A'	832	807
20	A'	676	656
21	A'	623	604
22	A'	446	433
23	A'	263	255
24	A"	921	894
25	A"	908	882
26	A"	896	869
27	A"	843	818
28	A"	741	719
29	A"	556	539
30	A"	450	437
31	A"	402	390
32	A"	239	232
33	A"	107	104

Atom	x (Å)	y (Å)
C1	0.000	0.598
C2	-1.054	-0.327
C3	-0.751	-1.688
C4	0.589	-2.114
C5	1.632	-1.181
C6	1.336	0.187
N7	-0.199	2.037
O8	-1.386	2.380
H9	-2.081	0.035
H10	-1.554	-2.425
H11	0.816	-3.181
H12	2.669	-1.517
H13	2.120	0.945

	C1	C2	C3	C4	C5	C6	N7	O8	H9	H10	H11	H12	H13
C1		1.4030	2.4064	2.7757	2.4142	1.3982	1.4529	2.2572	2.1556	3.3992	3.8661	3.4052	2.1481
C2	1.4030		1.3942	2.4275	2.8185	2.4453	2.5148	2.7274	1.0887	2.1561	3.4116	3.9083	3.4197
C3	2.4064	1.3942		1.4055	2.4359	2.8054	3.7662	4.1172	2.1770	1.0902	2.1637	3.4235	3.8951
C4	2.7757	2.4275	1.4055		1.3999	2.4195	4.2259	4.9088	3.4273	2.1654	1.0904	2.1640	3.4208
C5	2.4142	2.8185	2.4359	1.3999		1.3992	3.7026	4.6676	3.9067	3.4204	2.1602	1.0898	2.1808
C6	1.3982	2.4453	2.8054	2.4195	1.3992		2.4047	3.4959	3.4205	3.8956	3.4076	2.1628	1.0902
N7	1.4529	2.5148	3.7662	4.2259	3.7026	2.4047		1.2355	2.7478	4.6635	5.3161	4.5669	2.5636
O8	2.2572	2.7274	4.1172	4.9088	4.6676	3.4959	1.2355		2.4453	4.8074	5.9807	5.6236	3.7885
H9	2.1556	1.0887	2.1770	3.4273	3.9067	3.4205	2.7478	2.4453		2.5156	4.3281	4.9966	4.2981
H10	3.3992	2.1561	1.0902	2.1654	3.4204	3.8956	4.6635	4.8074	2.5156		2.4878	4.3194	4.9853
H11	3.8661	3.4116	2.1637	1.0904	2.1602	3.4076	5.3161	5.9807	4.3281	2.4878		2.4904	4.3268
H12	3.4052	3.9083	3.4235	2.1640	1.0898	2.1628	4.5669	5.6236	4.9966	4.3194	2.4904		2.5220
H13	2.1481	3.4197	3.8951	3.4208	2.1808	1.0902	2.5636	3.7885	4.2981	4.9853	4.3268	2.5220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.702	C1	C2	H9	119.265
C1	C6	C5	119.311	C1	C6	H13	118.844
C1	N7	O8	113.955	C2	C1	C6	121.602
C2	C1	N7	123.410	C2	C3	C4	120.232
C2	C3	H10	119.922	C3	C2	H9	122.033
C3	C4	C5	120.524	C3	C4	H11	119.667
C4	C3	H10	119.845	C4	C5	C6	119.629
C4	C5	H12	120.214	C5	C4	H11	119.809
C5	C6	H13	121.845	C6	C1	N7	114.988
C6	C5	H12	120.158

All results from a given calculation for C₆H₅NO (nitrosobenzene)

using model chemistry: CCSD(T)=FULL/6-31G*

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: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₆H₅NO (nitrosobenzene)