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	hartrees
Energy at 0K	-205.500273
Energy at 298.15K
HF Energy	-205.500273
Nuclear repulsion energy	104.660660

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'	3431	3097	1.46	55.08	0.65	0.79
2	A'	3381	3052	2.79	85.28	0.30	0.46
3	A'	3342	3016	0.59	54.39	0.11	0.20
4	A'	1848	1668	1.46	65.85	0.20	0.33
5	A'	1605	1449	76.19	83.08	0.33	0.49
6	A'	1578	1425	3.92	14.54	0.44	0.62
7	A'	1415	1277	5.39	12.99	0.46	0.63
8	A'	1241	1120	30.68	29.09	0.54	0.70
9	A'	943	851	30.53	5.28	0.60	0.75
10	A'	651	588	5.37	5.88	0.30	0.46
11	A'	370	334	1.43	0.19	0.74	0.85
12	A"	1184	1069	34.00	7.71	0.75	0.86
13	A"	1127	1017	59.75	1.79	0.75	0.86
14	A"	758	685	2.36	14.79	0.75	0.86
15	A"	194	175	0.01	1.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.162	1.259
C2	0.000	0.647
N3	-0.016	-0.795
O4	-1.151	-1.253
H5	2.074	0.696
H6	1.234	2.327
H7	-0.956	1.129

	C1	C2	N3	O4	H5	H6	H7
C1		1.3134	2.3674	3.4145	1.0721	1.0710	2.1224
C2	1.3134		1.4415	2.2210	2.0749	2.0850	1.0712
N3	2.3674	1.4415		1.2242	2.5672	3.3630	2.1412
O4	3.4145	2.2210	1.2242		3.7683	4.3018	2.3895
H5	1.0721	2.0749	2.5672	3.7683		1.8355	3.0615
H6	1.0710	2.0850	3.3630	4.3018	1.8355		2.4967
H7	2.1224	1.0712	2.1412	2.3895	3.0615	2.4967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.418	C1	C2	H7	125.459
C2	C1	H5	120.532	C2	C1	H6	121.629
C2	N3	O4	112.603	N3	C2	H7	116.122
H5	C1	H6	117.839

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/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	-0.387
2	C	-0.053
3	N	0.000
4	O	-0.341
5	H	0.262
6	H	0.247
7	H	0.271

	x	y	z	Total
	1.450	3.100	0.000	3.423
CHELPG
AIM
ESP

	x	y	z
x	6.018	2.247	0.000
y	2.247	4.922	0.000
z	0.000	0.000	1.356

<r²>	76.235
(<r²>)^1/2	8.731

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)