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	hartrees
Energy at 0K	-38.868406
Energy at 298.15K
HF Energy	-38.868406
Nuclear repulsion energy	55.336308

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'	3256	3144	7.31	58.43	0.69	0.82
2	A'	3171	3063	6.57	147.21	0.20	0.34
3	A'	3151	3043	4.17	18.22	0.72	0.84
4	A'	1675	1618	1.27	41.36	0.17	0.29
5	A'	1568	1515	121.03	75.48	0.28	0.44
6	A'	1393	1345	21.19	23.37	0.41	0.58
7	A'	1252	1209	1.57	5.76	0.46	0.63
8	A'	1133	1094	78.80	29.90	0.56	0.72
9	A'	878	848	30.45	0.35	0.43	0.60
10	A'	596	575	3.26	7.67	0.31	0.47
11	A'	339	327	1.02	1.37	0.67	0.80
12	A"	993	959	56.95	0.91	0.75	0.86
13	A"	977	944	34.61	8.44	0.75	0.86
14	A"	669	646	1.20	2.43	0.75	0.86
15	A"	184	178	0.22	1.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.245	1.222
C2	0.000	0.652
N3	-0.048	-0.789
O4	-1.212	-1.226
H5	2.133	0.583
H6	1.378	2.309
H7	-0.956	1.190

	C1	C2	N3	O4	H5	H6	H7
C1		1.3694	2.3905	3.4682	1.0949	1.0947	2.2009
C2	1.3694		1.4411	2.2346	2.1346	2.1555	1.0970
N3	2.3905	1.4411		1.2434	2.5764	3.4100	2.1771
O4	3.4682	2.2346	1.2434		3.8028	4.3822	2.4295
H5	1.0949	2.1346	2.5764	3.8028		1.8841	3.1484
H6	1.0947	2.1555	3.4100	4.3822	1.8841		2.5885
H7	2.2009	1.0970	2.1771	2.4295	3.1484	2.5885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.519	C1	C2	H7	125.983
C2	C1	H5	119.628	C2	C1	H6	121.630
C2	N3	O4	112.486	N3	C2	H7	117.497
H5	C1	H6	118.742

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/CEP-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	-0.483
2	C	-0.147
3	N	0.030
4	O	-0.160
5	H	0.236
6	H	0.228
7	H	0.295

	x	y	z	Total
	1.542	3.195	0.000	3.547
CHELPG
AIM
ESP

<r²>	63.570
(<r²>)^1/2	7.973

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)