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	hartrees
Energy at 0K	-207.760862
Energy at 298.15K
HF Energy	-207.760862
Nuclear repulsion energy	103.734296

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'	3220	3220	3.11	66.34	0.69	0.82
2	A'	3122	3122	4.39	151.65	0.12	0.22
3	A'	3098	3098	14.07	41.60	0.53	0.69
4	A'	1641	1641	0.94	17.39	0.13	0.24
5	A'	1523	1523	104.32	36.51	0.30	0.47
6	A'	1389	1389	20.31	20.30	0.38	0.55
7	A'	1258	1258	0.81	8.07	0.52	0.69
8	A'	1109	1109	67.91	19.16	0.51	0.68
9	A'	862	862	35.64	0.12	0.24	0.39
10	A'	595	595	0.68	8.65	0.26	0.42
11	A'	336	336	1.27	0.87	0.68	0.81
12	A"	985	985	30.57	0.14	0.75	0.86
13	A"	963	963	16.13	0.84	0.75	0.86
14	A"	651	651	0.26	7.56	0.75	0.86
15	A"	177	177	0.11	1.42	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.218	1.226
C2	0.000	0.652
N3	-0.042	-0.783
O4	-1.190	-1.234
H5	2.105	0.593
H6	1.350	2.306
H7	-0.953	1.190

	C1	C2	N3	O4	H5	H6	H7
C1		1.3462	2.3712	3.4420	1.0901	1.0883	2.1710
C2	1.3462		1.4358	2.2300	2.1063	2.1350	1.0943
N3	2.3712	1.4358		1.2332	2.5505	3.3883	2.1734
O4	3.4420	2.2300	1.2332		3.7679	4.3569	2.4357
H5	1.0901	2.1063	2.5505	3.7679		1.8721	3.1161
H6	1.0883	2.1350	3.3883	4.3569	1.8721		2.5591
H7	2.1710	1.0943	2.1734	2.4357	3.1161	2.5591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.897	C1	C2	H7	125.325
C2	C1	H5	119.295	C2	C1	H6	122.203
C2	N3	O4	113.119	N3	C2	H7	117.778
H5	C1	H6	118.503

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G**

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	-0.216
2	C	0.092
3	N	-0.012
4	O	-0.272
5	H	0.149
6	H	0.141
7	H	0.119

	x	y	z	Total
	1.402	2.892	0.000	3.214
CHELPG
AIM
ESP

	x	y	z
x	6.446	2.161	0.000
y	2.161	6.191	0.000
z	0.000	0.000	2.031

<r²>	76.676
(<r²>)^1/2	8.756

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)