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	hartrees
Energy at 0K	-207.962693
Energy at 298.15K
HF Energy	-207.962693
Nuclear repulsion energy	104.666710

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'	3240	3240	1.01	62.05	0.67	0.80
2	A'	3152	3152	4.72	174.48	0.12	0.21
3	A'	3134	3134	5.58	23.35	0.75	0.86
4	A'	1665	1665	1.97	36.40	0.07	0.14
5	A'	1555	1555	130.37	66.97	0.43	0.60
6	A'	1421	1421	24.72	24.99	0.38	0.55
7	A'	1286	1286	1.42	9.57	0.23	0.38
8	A'	1140	1140	80.76	26.61	0.40	0.57
9	A'	886	886	33.16	0.34	0.64	0.78
10	A'	603	603	1.16	9.87	0.11	0.20
11	A'	338	338	1.05	0.93	0.68	0.81
12	A"	1013	1013	32.63	3.58	0.75	0.86
13	A"	1007	1007	21.93	0.59	0.75	0.86
14	A"	678	678	0.76	0.64	0.75	0.86
15	A"	182	182	0.10	0.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.210	1.212
C2	0.000	0.650
N3	-0.047	-0.773
O4	-1.177	-1.227
H5	2.092	0.583
H6	1.344	2.286
H7	-0.948	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3343	2.3497	3.4129	1.0835	1.0819	2.1587
C2	1.3343		1.4239	2.2155	2.0934	2.1172	1.0868
N3	2.3497	1.4239		1.2180	2.5329	3.3604	2.1519
O4	3.4129	2.2155	1.2180		3.7371	4.3239	2.4185
H5	1.0835	2.0934	2.5329	3.7371		1.8597	3.0989
H6	1.0819	2.1172	3.3604	4.3239	1.8597		2.5451
H7	2.1587	1.0868	2.1519	2.4185	3.0989	2.5451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.805	C1	C2	H7	125.849
C2	C1	H5	119.592	C2	C1	H6	122.044
C2	N3	O4	113.757	N3	C2	H7	117.346
H5	C1	H6	118.364

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/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	-0.222
2	C	0.474
3	N	-0.274
4	O	-0.327
5	H	0.124
6	H	0.122
7	H	0.104

	x	y	z	Total
	1.469	3.003	0.000	3.343
CHELPG
AIM
ESP

	x	y	z
x	7.405	2.107	0.000
y	2.107	7.147	0.000
z	0.000	0.000	3.788

<r²>	76.065
(<r²>)^1/2	8.722

All results from a given calculation for C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)