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	hartrees
Energy at 0K	-207.854835
Energy at 298.15K
HF Energy	-207.854835
Nuclear repulsion energy	104.992294

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'	3269	3269	2.17	59.02	0.69	0.82
2	A'	3183	3183	7.02	147.94	0.22	0.35
3	A'	3163	3163	4.60	21.24	0.29	0.44
4	A'	1723	1723	6.71	20.21	0.10	0.19
5	A'	1671	1671	126.43	80.63	0.33	0.50
6	A'	1429	1429	23.64	19.04	0.46	0.63
7	A'	1298	1298	1.79	7.69	0.44	0.62
8	A'	1167	1167	68.19	26.45	0.43	0.60
9	A'	909	909	32.20	0.55	0.74	0.85
10	A'	626	626	1.46	6.55	0.25	0.40
11	A'	354	354	1.70	0.68	0.74	0.85
12	A"	1016	1016	31.25	3.05	0.75	0.86
13	A"	1014	1014	35.42	0.58	0.75	0.86
14	A"	690	690	1.78	5.94	0.75	0.86
15	A"	174	174	0.07	1.09	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.217
C2	0.000	0.648
N3	-0.047	-0.781
O4	-1.168	-1.223
H5	2.089	0.593
H6	1.327	2.293
H7	-0.953	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3282	2.3546	3.4000	1.0851	1.0834	2.1545
C2	1.3282		1.4299	2.2058	2.0895	2.1130	1.0879
N3	2.3546	1.4299		1.2051	2.5392	3.3663	2.1534
O4	3.4000	2.2058	1.2051		3.7287	4.3109	2.4049
H5	1.0851	2.0895	2.5392	3.7287		1.8621	3.0969
H6	1.0834	2.1130	3.3663	4.3109	1.8621		2.5409
H7	2.1545	1.0879	2.1534	2.4049	3.0969	2.5409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.189	C1	C2	H7	125.888
C2	C1	H5	119.620	C2	C1	H6	122.039
C2	N3	O4	113.398	N3	C2	H7	116.922
H5	C1	H6	118.341

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/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	-0.410
2	C	-0.119
3	N	0.020
4	O	-0.210
5	H	0.250
6	H	0.246
7	H	0.224

	x	y	z	Total
	1.363	2.840	0.000	3.150
CHELPG
AIM
ESP

	x	y	z
x	6.555	2.091	0.000
y	2.091	5.892	0.000
z	0.000	0.000	2.334

<r²>	75.620
(<r²>)^1/2	8.696

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)