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	hartrees
Energy at 0K	-207.784173
Energy at 298.15K
HF Energy	-207.784173
Nuclear repulsion energy	104.828467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3308	3133	0.66	61.04	0.68	0.81
2	A'	3227	3056	4.02	131.76	0.21	0.34
3	A'	3207	3037	0.57	28.08	0.16	0.28
4	A'	1752	1659	26.10	3.18	0.15	0.26
5	A'	1716	1625	95.94	92.15	0.26	0.42
6	A'	1436	1360	16.88	22.45	0.41	0.58
7	A'	1296	1227	1.23	6.83	0.56	0.72
8	A'	1169	1107	62.85	25.51	0.52	0.68
9	A'	909	860	25.85	0.16	0.70	0.82
10	A'	625	591	2.12	5.72	0.26	0.41
11	A'	353	334	1.40	0.41	0.71	0.83
12	A"	1023	968	58.03	0.05	0.75	0.86
13	A"	1018	964	0.40	1.25	0.75	0.86
14	A"	691	654	1.06	9.04	0.75	0.86
15	A"	175	165	0.05	1.43	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.213
C2	0.000	0.650
N3	-0.045	-0.784
O4	-1.174	-1.217
H5	2.089	0.582
H6	1.339	2.289
H7	-0.954	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3306	2.3570	3.4007	1.0859	1.0840	2.1603
C2	1.3306		1.4353	2.2050	2.0902	2.1165	1.0880
N3	2.3570	1.4353		1.2083	2.5344	3.3710	2.1577
O4	3.4007	2.2050	1.2083		3.7257	4.3132	2.3989
H5	1.0859	2.0902	2.5344	3.7257		1.8643	3.1002
H6	1.0840	2.1165	3.3710	4.3132	1.8643		2.5511
H7	2.1603	1.0880	2.1577	2.3989	3.1002	2.5511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.850	C1	C2	H7	126.274
C2	C1	H5	119.419	C2	C1	H6	122.129
C2	N3	O4	112.762	N3	C2	H7	116.876
H5	C1	H6	118.451

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.348
2	C	0.020
3	N	0.017
4	O	-0.279
5	H	0.204
6	H	0.197
7	H	0.190

	x	y	z	Total
	1.289	2.724	0.000	3.014
CHELPG
AIM
ESP

	x	y	z
x	6.237	1.998	0.000
y	1.998	5.654	0.000
z	0.000	0.000	1.962

<r²>	75.555
(<r²>)^1/2	8.692

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)