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	hartrees
Energy at 0K	-207.842814
Energy at 298.15K
HF Energy	-207.842814
Nuclear repulsion energy	103.480858

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'	3178	3160	1.81	61.65	0.69	0.82
2	A'	3087	3070	2.75	139.71	0.12	0.22
3	A'	3061	3044	11.35	43.09	0.50	0.67
4	A'	1612	1603	1.10	17.46	0.13	0.23
5	A'	1475	1467	89.06	33.40	0.29	0.45
6	A'	1376	1368	20.75	20.70	0.38	0.55
7	A'	1244	1237	1.07	7.74	0.53	0.69
8	A'	1093	1087	63.43	18.96	0.50	0.67
9	A'	846	841	36.76	0.10	0.03	0.05
10	A'	588	585	0.50	8.79	0.23	0.38
11	A'	330	328	1.16	0.91	0.65	0.79
12	A"	987	981	21.81	0.19	0.75	0.86
13	A"	964	959	14.11	0.68	0.75	0.86
14	A"	653	649	0.10	5.62	0.75	0.86
15	A"	179	178	0.07	1.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.241
C2	0.000	0.652
N3	-0.035	-0.788
O4	-1.186	-1.245
H5	2.108	0.621
H6	1.330	2.325
H7	-0.963	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3455	2.3805	3.4521	1.0919	1.0901	2.1736
C2	1.3455		1.4400	2.2367	2.1085	2.1374	1.0961
N3	2.3805	1.4400		1.2378	2.5654	3.3990	2.1711
O4	3.4521	2.2367	1.2378		3.7859	4.3670	2.4300
H5	1.0919	2.1085	2.5654	3.7859		1.8727	3.1210
H6	1.0901	2.1374	3.3990	4.3670	1.8727		2.5654
H7	2.1736	1.0961	2.1711	2.4300	3.1210	2.5654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.393	C1	C2	H7	125.498
C2	C1	H5	119.419	C2	C1	H6	122.346
C2	N3	O4	113.066	N3	C2	H7	117.109
H5	C1	H6	118.236

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.248
2	C	0.116
3	N	-0.012
4	O	-0.207
5	H	0.128
6	H	0.129
7	H	0.093

	x	y	z	Total
	1.294	2.779	0.000	3.066
CHELPG
AIM
ESP

	x	y	z
x	6.512	2.103	0.000
y	2.103	6.436	0.000
z	0.000	0.000	2.481

<r²>	77.095
(<r²>)^1/2	8.780

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)