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	hartrees
Energy at 0K	-207.870292
Energy at 298.15K
HF Energy	-207.870292
Nuclear repulsion energy	104.903335

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'	3261	3144	0.33	58.62	0.68	0.81
2	A'	3167	3054	4.33	175.58	0.15	0.27
3	A'	3151	3038	4.13	19.30	0.75	0.86
4	A'	1689	1628	3.23	28.48	0.08	0.15
5	A'	1605	1548	141.83	76.05	0.34	0.51
6	A'	1413	1362	25.06	19.51	0.41	0.58
7	A'	1287	1241	1.16	8.69	0.37	0.54
8	A'	1145	1104	77.52	25.82	0.46	0.63
9	A'	892	860	36.52	0.40	0.68	0.81
10	A'	616	594	1.16	8.05	0.21	0.35
11	A'	349	337	1.43	0.82	0.70	0.83
12	A"	1013	976	12.68	2.81	0.75	0.86
13	A"	1006	970	49.21	0.17	0.75	0.86
14	A"	683	659	0.98	3.66	0.75	0.86
15	A"	179	172	0.12	0.65	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.213
C2	0.000	0.649
N3	-0.048	-0.775
O4	-1.171	-1.226
H5	2.090	0.587
H6	1.334	2.289
H7	-0.949	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3306	2.3500	3.4053	1.0847	1.0828	2.1539
C2	1.3306		1.4243	2.2106	2.0910	2.1139	1.0880
N3	2.3500	1.4243		1.2101	2.5348	3.3606	2.1534
O4	3.4053	2.2106	1.2101		3.7310	4.3161	2.4179
H5	1.0847	2.0910	2.5348	3.7310		1.8622	3.0965
H6	1.0828	2.1139	3.3606	4.3161	1.8622		2.5372
H7	2.1539	1.0880	2.1534	2.4179	3.0965	2.5372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.046	C1	C2	H7	125.585
C2	C1	H5	119.590	C2	C1	H6	121.964
C2	N3	O4	113.854	N3	C2	H7	117.370
H5	C1	H6	118.446

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/TZVP

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	-0.175
2	C	-0.136
3	N	0.062
4	O	-0.169
5	H	0.147
6	H	0.146
7	H	0.125

	x	y	z	Total
	1.428	3.016	0.000	3.337
CHELPG
AIM
ESP

	x	y	z
x	6.935	2.232	0.000
y	2.232	6.418	0.000
z	0.000	0.000	2.979

<r²>	75.819
(<r²>)^1/2	8.707

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)