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	hartrees
Energy at 0K	-207.938525
Energy at 298.15K
HF Energy	-207.938525
Nuclear repulsion energy	104.637435

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'	3246	3139	1.20	63.98	0.69	0.82
2	A'	3155	3050	4.30	167.39	0.17	0.28
3	A'	3138	3034	6.28	23.71	0.73	0.85
4	A'	1679	1623	2.85	22.65	0.11	0.20
5	A'	1593	1540	121.47	58.96	0.37	0.54
6	A'	1412	1365	23.52	19.06	0.45	0.62
7	A'	1279	1237	2.02	8.20	0.44	0.61
8	A'	1139	1101	68.91	25.01	0.41	0.58
9	A'	889	859	33.70	0.36	0.75	0.86
10	A'	615	595	1.33	7.81	0.25	0.40
11	A'	350	338	1.70	0.95	0.75	0.85
12	A"	1009	975	0.13	2.52	0.75	0.86
13	A"	1008	974	55.90	0.44	0.75	0.86
14	A"	684	661	1.05	5.33	0.75	0.86
15	A"	182	176	0.05	1.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.222
C2	0.000	0.649
N3	-0.045	-0.779
O4	-1.172	-1.230
H5	2.090	0.596
H6	1.331	2.297
H7	-0.953	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3332	2.3586	3.4149	1.0843	1.0826	2.1579
C2	1.3332		1.4291	2.2155	2.0903	2.1181	1.0877
N3	2.3586	1.4291		1.2148	2.5391	3.3696	2.1533
O4	3.4149	2.2155	1.2148		3.7387	4.3255	2.4136
H5	1.0843	2.0903	2.5391	3.7387		1.8622	3.0972
H6	1.0826	2.1181	3.3696	4.3255	1.8622		2.5458
H7	2.1579	1.0877	2.1533	2.4136	3.0972	2.5458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.222	C1	C2	H7	125.786
C2	C1	H5	119.332	C2	C1	H6	122.166
C2	N3	O4	113.607	N3	C2	H7	116.992
H5	C1	H6	118.502

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	-0.024
3	N	0.009
4	O	-0.208
5	H	0.137
6	H	0.137
7	H	0.109

	x	y	z	Total
	1.391	2.862	0.000	3.182
CHELPG
AIM
ESP

	x	y	z
x	6.661	2.103	0.000
y	2.103	6.128	0.000
z	0.000	0.000	2.395

<r²>	76.109
(<r²>)^1/2	8.724

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)