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	hartrees
Energy at 0K	-205.108436
Energy at 298.15K
HF Energy	-205.108436
Nuclear repulsion energy	99.178781

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'	3460	3460	0.30	45.15	0.73	0.84
2	A'	3332	3332	1.00	75.48	0.16	0.28
3	A'	3297	3297	16.19	24.92	0.30	0.47
4	A'	1723	1723	7.21	13.16	0.15	0.26
5	A'	1492	1492	3.85	2.02	0.53	0.69
6	A'	1474	1474	15.99	38.74	0.31	0.47
7	A'	1308	1308	0.47	7.30	0.73	0.85
8	A'	1086	1086	28.10	12.67	0.71	0.83
9	A'	818	818	53.50	0.83	0.68	0.81
10	A'	516	516	2.41	6.23	0.31	0.48
11	A'	297	297	0.03	0.47	0.68	0.81
12	A"	1034	1034	14.39	0.05	0.75	0.86
13	A"	958	958	12.94	0.09	0.75	0.86
14	A"	537	537	0.92	3.67	0.75	0.86
15	A"	135	135	0.69	0.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.183	1.348
C2	0.000	0.695
N3	0.018	-0.871
O4	-1.203	-1.325
H5	2.134	0.786
H6	1.254	2.450
H7	-0.988	1.203

	C1	C2	N3	O4	H5	H6	H7
C1		1.3510	2.5060	3.5830	1.1050	1.1050	2.1760
C2	1.3510		1.5665	2.3515	2.1363	2.1570	1.1111
N3	2.5060	1.5665		1.3030	2.6876	3.5439	2.3056
O4	3.5830	2.3515	1.3030		3.9490	4.5046	2.5374
H5	1.1050	2.1363	2.6876	3.9490		1.8832	3.1504
H6	1.1050	2.1570	3.5439	4.5046	1.8832		2.5657
H7	2.1760	1.1111	2.3056	2.5374	3.1504	2.5657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.210	C1	C2	H7	123.922
C2	C1	H5	120.550	C2	C1	H6	122.557
C2	N3	O4	109.722	N3	C2	H7	117.869
H5	C1	H6	116.892

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/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	-0.134
2	C	-0.037
3	N	-0.032
4	O	-0.067
5	H	0.096
6	H	0.090
7	H	0.084

	x	y	z	Total
	0.326	1.769	0.000	1.799
CHELPG
AIM
ESP

	x	y	z
x	3.890	1.781	0.000
y	1.781	4.065	0.000
z	0.000	0.000	0.785

<r²>	81.391
(<r²>)^1/2	9.022

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)