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	hartrees
Energy at 0K	-207.567577
Energy at 298.15K
HF Energy	-207.567577
Nuclear repulsion energy	103.699054

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'	3316	3170	1.00	60.38	0.67	0.80
2	A'	3222	3080	5.77	147.93	0.18	0.30
3	A'	3203	3062	1.19	21.13	0.27	0.42
4	A'	1714	1638	4.88	37.52	0.18	0.30
5	A'	1509	1442	94.18	47.48	0.33	0.49
6	A'	1459	1394	25.43	21.54	0.39	0.56
7	A'	1317	1258	1.53	10.62	0.46	0.63
8	A'	1170	1119	59.04	22.69	0.52	0.68
9	A'	917	877	29.91	0.20	0.72	0.84
10	A'	621	593	3.73	8.76	0.30	0.47
11	A'	346	331	1.43	0.52	0.68	0.81
12	A"	1054	1007	27.89	2.79	0.75	0.86
13	A"	1036	990	50.69	0.44	0.75	0.86
14	A"	697	666	0.78	9.32	0.75	0.86
15	A"	195	186	0.24	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.234
C2	0.000	0.653
N3	-0.032	-0.774
O4	-1.185	-1.251
H5	2.099	0.617
H6	1.326	2.311
H7	-0.953	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3383	2.3595	3.4478	1.0856	1.0836	2.1597
C2	1.3383		1.4279	2.2422	2.0992	2.1232	1.0875
N3	2.3595	1.4279		1.2468	2.5456	3.3714	2.1571
O4	3.4478	2.2422	1.2468		3.7778	4.3579	2.4379
H5	1.0856	2.0992	2.5456	3.7778		1.8615	3.1030
H6	1.0836	2.1232	3.3714	4.3579	1.8615		2.5465
H7	2.1597	1.0875	2.1571	2.4379	3.1030	2.5465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.041	C1	C2	H7	125.506
C2	C1	H5	119.643	C2	C1	H6	122.137
C2	N3	O4	113.760	N3	C2	H7	117.453
H5	C1	H6	118.220

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/6-31G

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	-0.306
2	C	0.003
3	N	-0.011
4	O	-0.298
5	H	0.209
6	H	0.196
7	H	0.207

	x	y	z	Total
	1.576	3.361	0.000	3.713
CHELPG
AIM
ESP

	x	y	z
x	6.325	2.300	0.000
y	2.300	5.807	0.000
z	0.000	0.000	1.741

<r²>	77.023
(<r²>)^1/2	8.776

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)