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	hartrees
Energy at 0K	-206.697421
Energy at 298.15K
HF Energy	-206.697421
Nuclear repulsion energy	105.977830

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'	3428	3112	1.10	63.66	0.70	0.82
2	A'	3355	3046	4.06	112.26	0.25	0.40
3	A'	3322	3016	1.47	47.47	0.13	0.22
4	A'	1933	1756	155.69	66.10	0.38	0.55
5	A'	1846	1676	6.80	106.50	0.22	0.36
6	A'	1519	1379	17.06	25.09	0.42	0.60
7	A'	1382	1254	0.97	9.00	0.43	0.61
8	A'	1267	1151	58.77	32.15	0.50	0.67
9	A'	980	890	16.63	0.61	0.75	0.86
10	A'	665	604	4.69	5.83	0.25	0.40
11	A'	378	344	2.29	0.43	0.75	0.86
12	A"	1116	1013	30.19	6.25	0.75	0.86
13	A"	1089	989	29.78	2.49	0.75	0.86
14	A"	748	679	1.93	9.06	0.75	0.86
15	A"	186	169	0.01	1.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.191	1.214
C2	0.000	0.642
N3	-0.056	-0.783
O4	-1.150	-1.214
H5	2.086	0.604
H6	1.303	2.289
H7	-0.948	1.167

	C1	C2	N3	O4	H5	H6	H7
C1		1.3213	2.3540	3.3727	1.0822	1.0813	2.1400
C2	1.3213		1.4261	2.1837	2.0860	2.1003	1.0836
N3	2.3540	1.4261		1.1759	2.5515	3.3592	2.1441
O4	3.3727	2.1837	1.1759		3.7115	4.2769	2.3897
H5	1.0822	2.0860	2.5515	3.7115		1.8576	3.0855
H6	1.0813	2.1003	3.3592	4.2769	1.8576		2.5157
H7	2.1400	1.0836	2.1441	2.3897	3.0855	2.5157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.868	C1	C2	H7	125.419
C2	C1	H5	120.107	C2	C1	H6	121.572
C2	N3	O4	113.775	N3	C2	H7	116.712
H5	C1	H6	118.321

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/cc-pVDZ

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	0.019
2	C	-0.004
3	N	0.029
4	O	-0.233
5	H	0.073
6	H	0.075
7	H	0.042

	x	y	z	Total
	1.417	2.744	0.000	3.088
CHELPG
AIM
ESP

	x	y	z
x	6.483	2.117	0.000
y	2.117	5.342	0.000
z	0.000	0.000	2.132

<r²>	74.931
(<r²>)^1/2	8.656

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)