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	hartrees
Energy at 0K	-207.744755
Energy at 298.15K
HF Energy	-207.744755
Nuclear repulsion energy	105.245819

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'	3271	3271	0.24	57.19	0.67	0.80
2	A'	3177	3177	4.45	173.80	0.14	0.25
3	A'	3161	3161	3.39	17.16	0.68	0.81
4	A'	1701	1701	9.28	20.45	0.05	0.10
5	A'	1634	1634	134.19	89.08	0.32	0.49
6	A'	1412	1412	25.53	19.02	0.40	0.57
7	A'	1285	1285	2.17	7.36	0.34	0.51
8	A'	1155	1155	76.51	25.15	0.44	0.61
9	A'	901	901	28.49	0.40	0.35	0.52
10	A'	622	622	1.64	8.01	0.19	0.31
11	A'	351	351	1.33	0.83	0.66	0.80
12	A"	1020	1020	9.09	3.33	0.75	0.86
13	A"	1010	1010	46.69	0.18	0.75	0.86
14	A"	691	691	1.07	2.32	0.75	0.86
15	A"	179	179	0.08	0.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.207
C2	0.000	0.647
N3	-0.051	-0.771
O4	-1.168	-1.220
H5	2.084	0.575
H6	1.337	2.281
H7	-0.948	1.179

	C1	C2	N3	O4	H5	H6	H7
C1		1.3285	2.3431	3.3944	1.0834	1.0815	2.1523
C2	1.3285		1.4188	2.2022	2.0855	2.1115	1.0868
N3	2.3431	1.4188		1.2043	2.5240	3.3527	2.1462
O4	3.3944	2.2022	1.2043		3.7150	4.3050	2.4089
H5	1.0834	2.0855	2.5240	3.7150		1.8618	3.0914
H6	1.0815	2.1115	3.3527	4.3050	1.8618		2.5369
H7	2.1523	1.0868	2.1462	2.4089	3.0914	2.5369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.011	C1	C2	H7	125.734
C2	C1	H5	119.337	C2	C1	H6	122.026
C2	N3	O4	113.936	N3	C2	H7	117.256
H5	C1	H6	118.637

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.132
2	C	-0.033
3	N	0.083
4	O	-0.243
5	H	0.111
6	H	0.121
7	H	0.093

	x	y	z	Total
	1.395	2.905	0.000	3.223
CHELPG
AIM
ESP

	x	y	z
x	6.977	2.135	0.000
y	2.135	6.560	0.000
z	0.000	0.000	3.271

<r²>	75.405
(<r²>)^1/2	8.684

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)