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	hartrees
Energy at 0K	-207.829214
Energy at 298.15K
HF Energy	-207.829214
Nuclear repulsion energy	103.168086

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'	3187	3161	3.15	66.06	0.69	0.82
2	A'	3099	3074	3.12	136.95	0.12	0.22
3	A'	3071	3046	13.57	49.93	0.46	0.63
4	A'	1626	1613	1.19	17.72	0.14	0.25
5	A'	1475	1463	87.08	29.23	0.31	0.47
6	A'	1390	1379	21.92	23.09	0.37	0.54
7	A'	1257	1247	0.76	8.56	0.53	0.69
8	A'	1101	1092	64.42	19.97	0.51	0.68
9	A'	853	846	37.32	0.04	0.20	0.33
10	A'	587	583	0.75	8.75	0.27	0.42
11	A'	333	331	1.26	0.84	0.68	0.81
12	A"	982	974	27.18	0.16	0.75	0.86
13	A"	955	948	15.52	0.68	0.75	0.86
14	A"	649	643	0.18	7.89	0.75	0.86
15	A"	179	177	0.08	1.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.215	1.241
C2	0.000	0.652
N3	-0.034	-0.789
O4	-1.193	-1.246
H5	2.115	0.620
H6	1.337	2.326
H7	-0.963	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3501	2.3833	3.4612	1.0939	1.0924	2.1786
C2	1.3501		1.4417	2.2417	2.1157	2.1421	1.0981
N3	2.3833	1.4417		1.2452	2.5698	3.4034	2.1775
O4	3.4612	2.2417	1.2452		3.7976	4.3768	2.4374
H5	1.0939	2.1157	2.5698	3.7976		1.8762	3.1288
H6	1.0924	2.1421	3.4034	4.3768	1.8762		2.5688
H7	2.1786	1.0981	2.1775	2.4374	3.1288	2.5688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.194	C1	C2	H7	125.404
C2	C1	H5	119.554	C2	C1	H6	122.220
C2	N3	O4	112.883	N3	C2	H7	117.402
H5	C1	H6	118.226

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/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	-0.267
2	C	0.088
3	N	-0.013
4	O	-0.265
5	H	0.165
6	H	0.159
7	H	0.133

	x	y	z	Total
	1.382	2.872	0.000	3.187
CHELPG
AIM
ESP

	x	y	z
x	6.414	2.178	0.000
y	2.178	6.223	0.000
z	0.000	0.000	1.982

<r²>	77.432
(<r²>)^1/2	8.800

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)