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	hartrees
Energy at 0K	-207.720903
Energy at 298.15K
HF Energy	-207.720903
Nuclear repulsion energy	104.125635

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'	3177	3151	0.48	63.54	0.67	0.80
2	A'	3081	3056	2.65	165.03	0.10	0.18
3	A'	3057	3032	9.01	50.26	0.48	0.65
4	A'	1619	1606	1.88	31.55	0.07	0.12
5	A'	1498	1485	123.74	54.67	0.51	0.68
6	A'	1362	1351	27.40	18.88	0.44	0.61
7	A'	1238	1228	2.38	8.93	0.25	0.39
8	A'	1100	1091	77.62	21.79	0.35	0.52
9	A'	857	850	34.08	0.32	0.67	0.80
10	A'	596	591	0.82	11.74	0.11	0.20
11	A'	337	334	0.85	1.14	0.72	0.83
12	A"	971	963	0.04	2.17	0.75	0.86
13	A"	966	958	51.99	1.29	0.75	0.86
14	A"	652	647	0.62	0.58	0.75	0.86
15	A"	176	174	0.13	0.31	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.215	1.220
C2	0.000	0.652
N3	-0.046	-0.775
O4	-1.183	-1.234
H5	2.102	0.584
H6	1.348	2.300
H7	-0.957	1.186

	C1	C2	N3	O4	H5	H6	H7
C1		1.3412	2.3594	3.4308	1.0913	1.0890	2.1718
C2	1.3412		1.4272	2.2260	2.1031	2.1299	1.0957
N3	2.3594	1.4272		1.2266	2.5414	3.3764	2.1621
O4	3.4308	2.2260	1.2266		3.7546	4.3473	2.4306
H5	1.0913	2.1031	2.5414	3.7546		1.8747	3.1172
H6	1.0890	2.1299	3.3764	4.3473	1.8747		2.5600
H7	2.1718	1.0957	2.1621	2.4306	3.1172	2.5600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.888	C1	C2	H7	125.752
C2	C1	H5	119.319	C2	C1	H6	122.085
C2	N3	O4	113.814	N3	C2	H7	117.360
H5	C1	H6	118.596

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	-0.296
2	C	0.450
3	N	-0.266
4	O	-0.325
5	H	0.150
6	H	0.151
7	H	0.137

	x	y	z	Total
	1.465	3.018	0.000	3.355
CHELPG
AIM
ESP

	x	y	z
x	7.655	2.083	0.000
y	2.083	7.466	0.000
z	0.000	0.000	3.884

<r²>	76.819
(<r²>)^1/2	8.765

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)