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	hartrees
Energy at 0K	-205.135698
Energy at 298.15K
HF Energy	-205.135698
Nuclear repulsion energy	100.819505

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'	3590	3155	2.94	40.69	0.73	0.84
2	A'	3468	3048	0.05	60.61	0.19	0.32
3	A'	3427	3012	34.58	24.93	0.20	0.34
4	A'	1815	1596	4.84	16.65	0.13	0.23
5	A'	1623	1427	11.62	15.92	0.19	0.32
6	A'	1527	1342	7.66	28.66	0.43	0.60
7	A'	1354	1190	0.23	7.73	0.70	0.82
8	A'	1153	1014	31.38	13.83	0.71	0.83
9	A'	898	789	36.77	0.47	0.67	0.80
10	A'	566	497	0.01	4.63	0.33	0.50
11	A'	316	278	0.05	0.32	0.71	0.83
12	A"	1084	953	14.71	0.14	0.75	0.86
13	A"	1027	902	15.92	0.24	0.75	0.86
14	A"	622	546	0.50	4.94	0.75	0.86
15	A"	142	125	0.62	0.98	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.168	1.324
C2	0.000	0.677
N3	0.015	-0.851
O4	-1.185	-1.301
H5	2.114	0.770
H6	1.231	2.418
H7	-0.982	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3357	2.4620	3.5257	1.0961	1.0957	2.1559
C2	1.3357		1.5278	2.3056	2.1160	2.1328	1.1010
N3	2.4620	1.5278		1.2821	2.6517	3.4881	2.2574
O4	3.5257	2.3056	1.2821		3.8952	4.4353	2.4831
H5	1.0961	2.1160	2.6517	3.8952		1.8696	3.1225
H6	1.0957	2.1328	3.4881	4.4353	1.8696		2.5395
H7	2.1559	1.1010	2.2574	2.4831	3.1225	2.5395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.424	C1	C2	H7	124.157
C2	C1	H5	120.623	C2	C1	H6	122.305
C2	N3	O4	109.967	N3	C2	H7	117.419
H5	C1	H6	117.072

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/STO-3G

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	-0.146
2	C	-0.043
3	N	-0.037
4	O	-0.072
5	H	0.105
6	H	0.098
7	H	0.094

	x	y	z	Total
	0.344	1.876	0.000	1.908
CHELPG
AIM
ESP

	x	y	z
x	3.793	1.678	0.000
y	1.678	3.693	0.000
z	0.000	0.000	0.756

<r²>	79.164
(<r²>)^1/2	8.897

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)