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	hartrees
Energy at 0K	-205.159870
Energy at 298.15K
HF Energy	-205.159870
Nuclear repulsion energy	100.128951

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'	3539	3158	1.72	42.92	0.73	0.84
2	A'	3417	3049	0.07	65.04	0.18	0.31
3	A'	3379	3016	27.47	25.51	0.22	0.37
4	A'	1780	1589	4.48	15.60	0.13	0.23
5	A'	1562	1394	9.50	11.18	0.16	0.28
6	A'	1514	1351	7.87	33.09	0.40	0.57
7	A'	1340	1196	0.44	7.78	0.70	0.82
8	A'	1130	1008	28.73	13.75	0.70	0.83
9	A'	871	777	40.65	0.72	0.70	0.82
10	A'	548	489	0.10	5.02	0.33	0.49
11	A'	310	277	0.06	0.34	0.71	0.83
12	A"	1068	953	14.69	0.12	0.75	0.86
13	A"	1009	901	14.52	0.20	0.75	0.86
14	A"	604	539	0.53	4.82	0.75	0.86
15	A"	140	125	0.60	1.04	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.171	1.338
C2	0.000	0.683
N3	0.020	-0.860
O4	-1.191	-1.313
H5	2.121	0.787
H6	1.230	2.435
H7	-0.988	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3412	2.4809	3.5497	1.0989	1.0986	2.1645
C2	1.3412		1.5434	2.3239	2.1238	2.1406	1.1042
N3	2.4809	1.5434		1.2927	2.6697	3.5102	2.2722
O4	3.5497	2.3239	1.2927		3.9214	4.4614	2.4969
H5	1.0989	2.1238	2.6697	3.9214		1.8735	3.1335
H6	1.0986	2.1406	3.5102	4.4614	1.8735		2.5504
H7	2.1645	1.1042	2.2722	2.4969	3.1335	2.5504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.476	C1	C2	H7	124.251
C2	C1	H5	120.679	C2	C1	H6	122.339
C2	N3	O4	109.734	N3	C2	H7	117.273
H5	C1	H6	116.982

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/STO-3G

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	-0.138
2	C	-0.037
3	N	-0.037
4	O	-0.069
5	H	0.100
6	H	0.093
7	H	0.089

	x	y	z	Total
	0.320	1.839	0.000	1.867
CHELPG
AIM
ESP

	x	y	z
x	3.853	1.721	0.000
y	1.721	3.821	0.000
z	0.000	0.000	0.768

<r²>	80.089
(<r²>)^1/2	8.949

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)