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	hartrees
Energy at 0K	-37.977793
Energy at 298.15K
HF Energy	-37.977793
Nuclear repulsion energy	56.313462

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'	3457	3104	12.05	57.92	0.69	0.82
2	A'	3401	3054	6.74	94.17	0.36	0.53
3	A'	3362	3019	8.39	57.73	0.21	0.34
4	A'	1903	1709	185.19	98.40	0.34	0.50
5	A'	1843	1655	8.30	146.46	0.22	0.36
6	A'	1525	1370	13.92	33.86	0.42	0.59
7	A'	1379	1239	0.44	8.39	0.39	0.57
8	A'	1267	1137	73.29	44.51	0.53	0.69
9	A'	972	873	18.12	0.82	0.72	0.83
10	A'	651	584	6.13	5.90	0.29	0.45
11	A'	372	334	2.39	0.82	0.74	0.85
12	A"	1106	993	59.37	9.74	0.75	0.86
13	A"	1079	969	21.93	7.68	0.75	0.86
14	A"	737	662	2.05	5.51	0.75	0.86
15	A"	186	167	0.02	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.226	1.209
C2	0.000	0.648
N3	-0.061	-0.786
O4	-1.181	-1.211
H5	2.111	0.588
H6	1.351	2.283
H7	-0.941	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3487	2.3747	3.4136	1.0808	1.0810	2.1677
C2	1.3487		1.4349	2.2020	2.1116	2.1212	1.0807
N3	2.3747	1.4349		1.1977	2.5704	3.3784	2.1527
O4	3.4136	2.2020	1.1977		3.7515	4.3149	2.4013
H5	1.0808	2.1116	2.5704	3.7515		1.8574	3.1087
H6	1.0810	2.1212	3.3784	4.3149	1.8574		2.5444
H7	2.1677	1.0807	2.1527	2.4013	3.1087	2.5444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.060	C1	C2	H7	125.963
C2	C1	H5	120.318	C2	C1	H6	121.231
C2	N3	O4	113.219	N3	C2	H7	116.977
H5	C1	H6	118.452

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/CEP-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	-0.410
2	C	-0.134
3	N	0.069
4	O	-0.200
5	H	0.210
6	H	0.200
7	H	0.266

	x	y	z	Total
	1.565	3.040	0.000	3.419
CHELPG
AIM
ESP

	x	y	z
x	6.791	2.516	0.000
y	2.516	5.329	0.000
z	0.000	0.000	2.305

<r²>	62.472
(<r²>)^1/2	7.904

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)