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	hartrees
Energy at 0K	-207.918931
Energy at 298.15K
HF Energy	-207.918931
Nuclear repulsion energy	103.709756

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'	3166	3155	1.01	66.05	0.67	0.80
2	A'	3078	3067	2.92	165.98	0.09	0.16
3	A'	3054	3043	10.42	58.98	0.44	0.61
4	A'	1606	1600	1.52	35.94	0.09	0.17
5	A'	1442	1437	108.85	44.43	0.58	0.73
6	A'	1380	1375	32.20	28.84	0.41	0.58
7	A'	1251	1246	1.37	10.76	0.23	0.37
8	A'	1090	1087	76.58	25.55	0.35	0.52
9	A'	849	846	44.52	0.54	0.58	0.73
10	A'	591	589	0.48	12.94	0.10	0.19
11	A'	342	341	0.86	1.13	0.73	0.84
12	A"	976	972	12.76	2.97	0.75	0.86
13	A"	970	967	36.81	0.42	0.75	0.86
14	A"	651	649	0.56	0.49	0.75	0.86
15	A"	176	176	0.09	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.211	1.234
C2	0.000	0.654
N3	-0.040	-0.780
O4	-1.183	-1.248
H5	2.105	0.614
H6	1.330	2.314
H7	-0.956	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3427	2.3709	3.4485	1.0883	1.0863	2.1676
C2	1.3427		1.4342	2.2399	2.1057	2.1273	1.0924
N3	2.3709	1.4342		1.2350	2.5586	3.3837	2.1654
O4	3.4485	2.2399	1.2350		3.7791	4.3595	2.4412
H5	1.0883	2.1057	2.5586	3.7791		1.8681	3.1137
H6	1.0863	2.1273	3.3837	4.3595	1.8681		2.5510
H7	2.1676	1.0924	2.1654	2.4412	3.1137	2.5510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.209	C1	C2	H7	125.465
C2	C1	H5	119.671	C2	C1	H6	121.913
C2	N3	O4	113.897	N3	C2	H7	117.326
H5	C1	H6	118.416

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/aug-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	-0.597
2	C	-0.032
3	N	-0.060
4	O	-0.387
5	H	0.341
6	H	0.261
7	H	0.474

	x	y	z	Total
	1.503	3.086	0.000	3.433
CHELPG
AIM
ESP

	x	y	z
x	7.842	2.130	0.000
y	2.130	7.735	0.000
z	0.000	0.000	4.039

<r²>	77.532
(<r²>)^1/2	8.805

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)