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	hartrees
Energy at 0K	-204.959627
Energy at 298.15K
HF Energy	-204.959627
Nuclear repulsion energy	100.901592

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'	3594	3171	3.12	40.18	0.73	0.84
2	A'	3473	3063	0.06	60.01	0.19	0.32
3	A'	3431	3026	35.11	24.67	0.20	0.33
4	A'	1819	1604	4.90	16.51	0.13	0.23
5	A'	1631	1439	11.90	16.22	0.19	0.32
6	A'	1527	1347	7.79	27.97	0.44	0.61
7	A'	1354	1194	0.18	7.62	0.70	0.82
8	A'	1155	1019	31.74	13.79	0.71	0.83
9	A'	900	794	36.43	0.42	0.65	0.79
10	A'	567	501	0.02	4.57	0.33	0.50
11	A'	315	278	0.05	0.32	0.71	0.83
12	A"	1085	957	14.64	0.13	0.75	0.86
13	A"	1028	907	16.25	0.23	0.75	0.86
14	A"	623	549	0.51	4.89	0.75	0.86
15	A"	142	125	0.64	0.97	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.169	1.322
C2	0.000	0.676
N3	0.015	-0.850
O4	-1.185	-1.299
H5	2.113	0.766
H6	1.233	2.416
H7	-0.982	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3353	2.4596	3.5224	1.0962	1.0957	2.1558
C2	1.3353		1.5261	2.3030	2.1150	2.1327	1.1010
N3	2.4596	1.5261		1.2807	2.6484	3.4859	2.2558
O4	3.5224	2.3030	1.2807		3.8908	4.4324	2.4808
H5	1.0962	2.1150	2.6484	3.8908		1.8699	3.1220
H6	1.0957	2.1327	3.4859	4.4324	1.8699		2.5400
H7	2.1558	1.1010	2.2558	2.4808	3.1220	2.5400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.389	C1	C2	H7	124.190
C2	C1	H5	120.563	C2	C1	H6	122.332
C2	N3	O4	109.964	N3	C2	H7	117.421
H5	C1	H6	117.104

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/STO-3G

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	-0.147
2	C	-0.045
3	N	-0.037
4	O	-0.071
5	H	0.106
6	H	0.099
7	H	0.095

	x	y	z	Total
	0.340	1.871	0.000	1.901
CHELPG
AIM
ESP

	x	y	z
x	3.776	1.668	0.000
y	1.668	3.671	0.000
z	0.000	0.000	0.755

<r²>	79.041
(<r²>)^1/2	8.891

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)