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	hartrees
Energy at 0K	-207.879471
Energy at 298.15K
HF Energy	-207.879471
Nuclear repulsion energy	104.311441

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'	3275	3145	1.73	61.75	0.69	0.82
2	A'	3187	3061	4.17	148.55	0.14	0.25
3	A'	3170	3044	6.16	20.60	0.73	0.85
4	A'	1698	1630	0.99	20.95	0.15	0.26
5	A'	1601	1538	113.31	54.60	0.30	0.46
6	A'	1433	1376	19.88	22.42	0.39	0.56
7	A'	1296	1245	0.86	8.32	0.51	0.68
8	A'	1156	1111	68.55	23.25	0.50	0.67
9	A'	900	864	30.15	0.06	0.69	0.82
10	A'	614	590	1.84	7.34	0.27	0.42
11	A'	347	333	1.39	0.70	0.67	0.80
12	A"	1014	974	34.72	0.11	0.75	0.86
13	A"	1000	961	14.79	1.39	0.75	0.86
14	A"	682	655	0.36	8.13	0.75	0.86
15	A"	184	177	0.06	1.43	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.226
C2	0.000	0.646
N3	-0.040	-0.782
O4	-1.178	-1.231
H5	2.100	0.609
H6	1.327	2.304
H7	-0.955	1.171

	C1	C2	N3	O4	H5	H6	H7
C1		1.3378	2.3625	3.4238	1.0865	1.0852	2.1615
C2	1.3378		1.4286	2.2169	2.1002	2.1237	1.0897
N3	2.3625	1.4286		1.2243	2.5517	3.3751	2.1565
O4	3.4238	2.2169	1.2243		3.7594	4.3334	2.4127
H5	1.0865	2.1002	2.5517	3.7594		1.8632	3.1062
H6	1.0852	2.1237	3.3751	4.3334	1.8632		2.5481
H7	2.1615	1.0897	2.1565	2.4127	3.1062	2.5481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.268	C1	C2	H7	125.545
C2	C1	H5	119.711	C2	C1	H6	122.103
C2	N3	O4	113.141	N3	C2	H7	117.187
H5	C1	H6	118.186

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	-0.304
2	C	0.061
3	N	0.002
4	O	-0.280
5	H	0.185
6	H	0.177
7	H	0.159

	x	y	z	Total
	1.398	2.880	0.000	3.201
CHELPG
AIM
ESP

	x	y	z
x	6.293	2.139	0.000
y	2.139	5.919	0.000
z	0.000	0.000	1.967

<r²>	76.134
(<r²>)^1/2	8.725

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)