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	hartrees
Energy at 0K	-207.744469
Energy at 298.15K
HF Energy	-207.527373
Nuclear repulsion energy	104.456836

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'	3277	3277	0.99	61.08	0.69	0.82
2	A'	3184	3184	5.01	162.74	0.19	0.31
3	A'	3168	3168	2.94	18.30	0.47	0.64
4	A'	1673	1673	1.84	30.74	0.15	0.26
5	A'	1536	1536	85.34	42.77	0.37	0.54
6	A'	1421	1421	22.26	20.19	0.44	0.61
7	A'	1286	1286	2.09	7.77	0.43	0.60
8	A'	1150	1150	68.77	26.47	0.42	0.59
9	A'	898	898	29.51	0.40	0.74	0.85
10	A'	615	615	1.28	7.32	0.25	0.41
11	A'	350	350	1.69	0.69	0.75	0.86
12	A"	1012	1012	36.15	0.41	0.75	0.86
13	A"	995	995	20.58	2.36	0.75	0.86
14	A"	688	688	1.10	5.29	0.75	0.86
15	A"	178	178	0.05	1.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.222
C2	0.000	0.649
N3	-0.041	-0.779
O4	-1.178	-1.229
H5	2.090	0.594
H6	1.332	2.296
H7	-0.953	1.171

	C1	C2	N3	O4	H5	H6	H7
C1		1.3359	2.3584	3.4196	1.0835	1.0818	2.1605
C2	1.3359		1.4287	2.2169	2.0907	2.1188	1.0866
N3	2.3584	1.4287		1.2222	2.5355	3.3684	2.1527
O4	3.4196	2.2169	1.2222		3.7419	4.3278	2.4106
H5	1.0835	2.0907	2.5355	3.7419		1.8632	3.0972
H6	1.0818	2.1188	3.3684	4.3278	1.8632		2.5475
H7	2.1605	1.0866	2.1527	2.4106	3.0972	2.5475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.055	C1	C2	H7	125.896
C2	C1	H5	119.200	C2	C1	H6	122.059
C2	N3	O4	113.268	N3	C2	H7	117.049
H5	C1	H6	118.741

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-0.159
2	C	-0.033
3	N	0.011
4	O	-0.202
5	H	0.136
6	H	0.136
7	H	0.111

	x	y	z	Total
	1.301	2.777	0.000	3.066
CHELPG
AIM
ESP

	x	y	z
x	6.536	2.065	0.000
y	2.065	6.011	0.001
z	0.000	0.001	2.380

<r²>	76.259
(<r²>)^1/2	8.733

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)