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	hartrees
Energy at 0K	-207.809182
Energy at 298.15K
HF Energy	-207.809182
Nuclear repulsion energy	104.707095

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'	3295	3295	0.92	60.31	0.69	0.81
2	A'	3208	3208	5.53	137.05	0.19	0.32
3	A'	3186	3186	1.87	25.99	0.18	0.31
4	A'	1733	1733	3.33	19.22	0.14	0.24
5	A'	1680	1680	121.42	76.36	0.29	0.45
6	A'	1429	1429	21.20	21.60	0.41	0.58
7	A'	1296	1296	1.40	7.29	0.52	0.69
8	A'	1170	1170	66.98	24.51	0.51	0.67
9	A'	910	910	27.61	0.14	0.75	0.86
10	A'	621	621	1.72	6.28	0.26	0.42
11	A'	349	349	1.48	0.52	0.69	0.82
12	A"	1022	1022	45.24	0.95	0.75	0.86
13	A"	1019	1019	12.40	0.96	0.75	0.86
14	A"	689	689	0.80	8.64	0.75	0.86
15	A"	173	173	0.07	1.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.217
C2	0.000	0.649
N3	-0.043	-0.782
O4	-1.174	-1.223
H5	2.092	0.592
H6	1.330	2.293
H7	-0.952	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3314	2.3557	3.4070	1.0856	1.0839	2.1565
C2	1.3314		1.4312	2.2095	2.0928	2.1149	1.0882
N3	2.3557	1.4312		1.2140	2.5388	3.3676	2.1585
O4	3.4070	2.2095	1.2140		3.7364	4.3166	2.4093
H5	1.0856	2.0928	2.5388	3.7364		1.8641	3.0995
H6	1.0839	2.1149	3.3676	4.3166	1.8641		2.5407
H7	2.1565	1.0882	2.1585	2.4093	3.0995	2.5407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.972	C1	C2	H7	125.767
C2	C1	H5	119.622	C2	C1	H6	121.912
C2	N3	O4	113.037	N3	C2	H7	117.260
H5	C1	H6	118.466

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G**

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	-0.259
2	C	0.054
3	N	0.011
4	O	-0.282
5	H	0.168
6	H	0.160
7	H	0.148

	x	y	z	Total
	1.363	2.839	0.000	3.149
CHELPG
AIM
ESP

	x	y	z
x	6.316	2.090	0.000
y	2.090	5.772	0.000
z	0.000	0.000	2.012

<r²>	75.605
(<r²>)^1/2	8.695

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)