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	hartrees
Energy at 0K	-360.564514
Energy at 298.15K
HF Energy	-359.336816
Nuclear repulsion energy	322.392270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3217	3093
2	A'	3208	3085
3	A'	3199	3076
4	A'	3191	3069
5	A'	3181	3059
6	A'	1656	1592
7	A'	1646	1583
8	A'	1526	1467
9	A'	1505	1447
10	A'	1432	1377
11	A'	1394	1341
12	A'	1339	1288
13	A'	1210	1164
14	A'	1201	1155
15	A'	1148	1104
16	A'	1105	1063
17	A'	1042	1002
18	A'	1013	974
19	A'	828	796
20	A'	672	646
21	A'	620	596
22	A'	441	424
23	A'	258	248
24	A"	916	881
25	A"	903	869
26	A"	891	857
27	A"	839	807
28	A"	742	713
29	A"	553	532
30	A"	450	432
31	A"	401	386
32	A"	239	229
33	A"	104	100

Atom	x (Å)	y (Å)
C1	0.000	0.597
C2	-1.053	-0.330
C3	-0.746	-1.691
C4	0.595	-2.114
C5	1.636	-1.178
C6	1.339	0.189
N7	-0.202	2.037
O8	-1.400	2.380
H9	-2.080	0.033
H10	-1.548	-2.429
H11	0.824	-3.180
H12	2.673	-1.512
H13	2.121	0.949

	C1	C2	C3	C4	C5	C6	N7	O8	H9	H10	H11	H12	H13
C1		1.4030	2.4065	2.7759	2.4139	1.3993	1.4539	2.2666	2.1549	3.3995	3.8665	3.4054	2.1497
C2	1.4030		1.3946	2.4281	2.8189	2.4469	2.5156	2.7322	1.0892	2.1568	3.4124	3.9090	3.4215
C3	2.4065	1.3946		1.4057	2.4364	2.8070	3.7673	4.1228	2.1791	1.0904	2.1641	3.4239	3.8969
C4	2.7759	2.4281	1.4057		1.4005	2.4207	4.2271	4.9168	3.4292	2.1654	1.0906	2.1642	3.4225
C5	2.4139	2.8189	2.4364	1.4005		1.3990	3.7031	4.6769	3.9076	3.4210	2.1611	1.0900	2.1815
C6	1.3993	2.4469	2.8070	2.4207	1.3990		2.4057	3.5069	3.4216	3.8973	3.4088	2.1627	1.0905
N7	1.4539	2.5156	3.7673	4.2271	3.7031	2.4057		1.2461	2.7465	4.6649	5.3174	4.5679	2.5648
O8	2.2666	2.7322	4.1228	4.9168	4.6769	3.5069	1.2461		2.4436	4.8115	5.9885	5.6339	3.8003
H9	2.1549	1.0892	2.1791	3.4292	3.9076	3.4216	2.7465	2.4436		2.5188	4.3305	4.9977	4.2991
H10	3.3995	2.1568	1.0904	2.1654	3.4210	3.8973	4.6649	4.8115	2.5188		2.4878	4.3197	4.9873
H11	3.8665	3.4124	2.1641	1.0906	2.1611	3.4088	5.3174	5.9885	4.3305	2.4878		2.4907	4.3284
H12	3.4054	3.9090	3.4239	2.1642	1.0900	2.1627	4.5679	5.6339	4.9977	4.3197	2.4907		2.5227
H13	2.1497	3.4215	3.8969	3.4225	2.1815	1.0905	2.5648	3.8003	4.2991	4.9873	4.3284	2.5227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.681	C1	C2	H9	119.154
C1	C6	C5	119.227	C1	C6	H13	118.875
C1	N7	O8	113.947	C2	C1	C6	121.661
C2	C1	N7	123.401	C2	C3	C4	120.239
C2	C3	H10	119.940	C3	C2	H9	122.165
C3	C4	C5	120.504	C3	C4	H11	119.672
C4	C3	H10	119.821	C4	C5	C6	119.689
C4	C5	H12	120.165	C5	C4	H11	119.824
C5	C6	H13	121.898	C6	C1	N7	114.938
C6	C5	H12	120.145

All results from a given calculation for C₆H₅NO (nitrosobenzene)

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₆H₅NO (nitrosobenzene)