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	hartrees
Energy at 0K	-207.914077
Energy at 298.15K
HF Energy	-207.914077
Nuclear repulsion energy	103.721329

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'	3168	3158	1.65	66.49	0.68	0.81
2	A'	3078	3069	3.12	161.48	0.12	0.21
3	A'	3053	3044	12.52	59.48	0.47	0.64
4	A'	1609	1604	1.65	24.72	0.12	0.21
5	A'	1453	1449	96.80	33.54	0.43	0.60
6	A'	1379	1375	27.24	22.20	0.44	0.61
7	A'	1252	1249	1.73	9.05	0.40	0.57
8	A'	1090	1087	68.26	22.33	0.41	0.58
9	A'	847	845	42.24	0.14	0.72	0.84
10	A'	591	589	0.40	9.99	0.22	0.36
11	A'	340	339	1.33	1.18	0.74	0.85
12	A"	978	975	22.70	0.88	0.75	0.86
13	A"	976	973	23.21	1.78	0.75	0.86
14	A"	656	654	0.61	4.09	0.75	0.86
15	A"	178	178	0.05	0.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.236
C2	0.000	0.653
N3	-0.039	-0.782
O4	-1.182	-1.247
H5	2.102	0.614
H6	1.330	2.316
H7	-0.957	1.180

	C1	C2	N3	O4	H5	H6	H7
C1		1.3421	2.3725	3.4470	1.0884	1.0865	2.1671
C2	1.3421		1.4359	2.2379	2.1025	2.1289	1.0926
N3	2.3725	1.4359		1.2345	2.5556	3.3865	2.1663
O4	3.4470	2.2379	1.2345		3.7748	4.3592	2.4371
H5	1.0884	2.1025	2.5556	3.7748		1.8688	3.1113
H6	1.0865	2.1289	3.3865	4.3592	1.8688		2.5538
H7	2.1671	1.0926	2.1663	2.4371	3.1113	2.5538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.269	C1	C2	H7	125.461
C2	C1	H5	119.411	C2	C1	H6	122.121
C2	N3	O4	113.659	N3	C2	H7	117.270
H5	C1	H6	118.467

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/cc-pVTZ

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	-0.187
2	C	0.014
3	N	0.040
4	O	-0.187
5	H	0.119
6	H	0.127
7	H	0.074

	x	y	z	Total
	1.403	2.899	0.000	3.220
CHELPG
AIM
ESP

	x	y	z
x	7.114	2.145	0.000
y	2.145	6.883	0.000
z	0.000	0.000	2.955

<r²>	77.268
(<r²>)^1/2	8.790

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)