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	hartrees
Energy at 0K	-207.814831
Energy at 298.15K
HF Energy	-207.814831
Nuclear repulsion energy	104.037718

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'	3198	3152	3.25	68.81	0.69	0.82
2	A'	3101	3057	4.61	164.42	0.14	0.25
3	A'	3077	3033	16.94	53.78	0.52	0.68
4	A'	1627	1604	1.84	20.31	0.10	0.19
5	A'	1516	1494	114.93	38.16	0.41	0.59
6	A'	1379	1359	23.93	17.92	0.46	0.63
7	A'	1249	1231	1.97	8.36	0.45	0.62
8	A'	1098	1082	69.09	20.82	0.40	0.57
9	A'	853	841	41.04	0.11	0.67	0.80
10	A'	597	588	0.34	9.36	0.25	0.40
11	A'	339	334	1.66	1.26	0.75	0.86
12	A"	982	968	32.81	0.54	0.75	0.86
13	A"	970	956	18.27	1.91	0.75	0.86
14	A"	654	644	0.73	5.42	0.75	0.86
15	A"	177	175	0.10	1.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.216	1.222
C2	0.000	0.654
N3	-0.047	-0.781
O4	-1.184	-1.233
H5	2.098	0.583
H6	1.354	2.300
H7	-0.952	1.190

	C1	C2	N3	O4	H5	H6	H7
C1		1.3423	2.3679	3.4337	1.0888	1.0867	2.1690
C2	1.3423		1.4358	2.2282	2.0992	2.1312	1.0929
N3	2.3679	1.4358		1.2238	2.5418	3.3844	2.1692
O4	3.4337	2.2282	1.2238		3.7511	4.3505	2.4349
H5	1.0888	2.0992	2.5418	3.7511		1.8710	3.1102
H6	1.0867	2.1312	3.3844	4.3505	1.8710		2.5596
H7	2.1690	1.0929	2.1692	2.4349	3.1102	2.5596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.891	C1	C2	H7	125.603
C2	C1	H5	119.050	C2	C1	H6	122.307
C2	N3	O4	113.578	N3	C2	H7	117.506
H5	C1	H6	118.643

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/6-311G**

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	-0.160
2	C	-0.007
3	N	-0.005
4	O	-0.203
5	H	0.136
6	H	0.137
7	H	0.102

	x	y	z	Total
	1.404	2.867	0.000	3.193
CHELPG
AIM
ESP

	x	y	z
x	6.828	2.115	0.000
y	2.115	6.412	0.000
z	0.000	0.000	2.416

<r²>	76.663
(<r²>)^1/2	8.756

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)