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	hartrees
Energy at 0K	-206.596021
Energy at 298.15K
HF Energy	-206.596021
Nuclear repulsion energy	101.868043

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'	3213	3213	3.06	60.40	0.66	0.80
2	A'	3129	3129	6.62	143.92	0.18	0.31
3	A'	3112	3112	3.91	22.30	0.33	0.50
4	A'	1625	1625	2.74	19.98	0.14	0.25
5	A'	1428	1428	13.62	18.78	0.36	0.53
6	A'	1270	1270	3.23	4.49	0.70	0.82
7	A'	1244	1244	22.41	19.20	0.26	0.42
8	A'	1076	1076	37.91	23.66	0.49	0.66
9	A'	805	805	56.60	1.58	0.61	0.76
10	A'	572	572	0.18	8.10	0.29	0.46
11	A'	324	324	0.96	0.49	0.65	0.78
12	A"	998	998	42.69	0.18	0.75	0.86
13	A"	985	985	30.00	1.49	0.75	0.86
14	A"	645	645	1.56	8.83	0.75	0.86
15	A"	185	185	0.27	1.64	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.188	1.281
C2	0.000	0.654
N3	0.011	-0.809
O4	-1.201	-1.269
H5	2.104	0.690
H6	1.272	2.365
H7	-0.973	1.147

	C1	C2	N3	O4	H5	H6	H7
C1		1.3430	2.3983	3.4938	1.0900	1.0881	2.1651
C2	1.3430		1.4633	2.2673	2.1045	2.1322	1.0907
N3	2.3983	1.4633		1.2961	2.5746	3.4158	2.1897
O4	3.4938	2.2673	1.2961		3.8420	4.3959	2.4267
H5	1.0900	2.1045	2.5746	3.8420		1.8706	3.1109
H6	1.0881	2.1322	3.4158	4.3959	1.8706		2.5543
H7	2.1651	1.0907	2.1897	2.4267	3.1109	2.5543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.370	C1	C2	H7	125.334
C2	C1	H5	119.398	C2	C1	H6	122.232
C2	N3	O4	110.350	N3	C2	H7	117.296
H5	C1	H6	118.370

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/3-21G*

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	-0.360
2	C	-0.028
3	N	-0.052
4	O	-0.256
5	H	0.240
6	H	0.227
7	H	0.229

	x	y	z	Total
	1.293	2.954	0.000	3.225
CHELPG
AIM
ESP

	x	y	z
x	5.951	2.224	0.000
y	2.224	5.743	0.000
z	0.000	0.000	1.467

<r²>	78.514
(<r²>)^1/2	8.861

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)