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	hartrees
Energy at 0K	-207.809808
Energy at 298.15K
HF Energy	-207.809808
Nuclear repulsion energy	104.031953

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'	3194	3194	5.80	67.17	0.70	0.82
2	A'	3100	3100	6.41	158.89	0.15	0.26
3	A'	3076	3076	21.18	50.96	0.54	0.70
4	A'	1633	1633	1.61	20.30	0.11	0.20
5	A'	1516	1516	113.68	36.58	0.42	0.59
6	A'	1388	1388	24.41	18.03	0.46	0.63
7	A'	1260	1260	1.89	8.84	0.44	0.61
8	A'	1106	1106	68.91	20.99	0.40	0.57
9	A'	858	858	42.31	0.08	0.72	0.84
10	A'	599	599	0.40	9.41	0.25	0.40
11	A'	342	342	1.59	1.27	0.75	0.86
12	A"	980	980	34.46	0.46	0.75	0.86
13	A"	959	959	20.44	2.01	0.75	0.86
14	A"	652	652	0.85	5.72	0.75	0.86
15	A"	179	179	0.12	1.10	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.214	1.225
C2	0.000	0.652
N3	-0.045	-0.782
O4	-1.183	-1.234
H5	2.102	0.593
H6	1.348	2.305
H7	-0.955	1.186

	C1	C2	N3	O4	H5	H6	H7
C1		1.3426	2.3693	3.4343	1.0894	1.0877	2.1692
C2	1.3426		1.4345	2.2265	2.1024	2.1327	1.0937
N3	2.3693	1.4345		1.2241	2.5495	3.3863	2.1672
O4	3.4343	2.2265	1.2241		3.7586	4.3508	2.4306
H5	1.0894	2.1024	2.5495	3.7586		1.8697	3.1132
H6	1.0877	2.1327	3.3863	4.3508	1.8697		2.5605
H7	2.1692	1.0937	2.1672	2.4306	3.1132	2.5605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.082	C1	C2	H7	125.536
C2	C1	H5	119.281	C2	C1	H6	122.355
C2	N3	O4	113.515	N3	C2	H7	117.382
H5	C1	H6	118.364

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/6-311G*

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	-0.369
2	C	-0.067
3	N	-0.002
4	O	-0.204
5	H	0.227
6	H	0.227
7	H	0.188

	x	y	z	Total
	1.414	2.891	0.000	3.218
CHELPG
AIM
ESP

	x	y	z
x	6.782	2.123	0.000
y	2.123	6.387	0.000
z	0.000	0.000	2.353

<r²>	76.697
(<r²>)^1/2	8.758

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)