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	hartrees
Energy at 0K	-207.961271
Energy at 298.15K
HF Energy	-207.961271
Nuclear repulsion energy	104.828827

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'	3247	3139	0.75	60.65	0.68	0.81
2	A'	3158	3052	4.16	171.72	0.14	0.25
3	A'	3142	3037	5.31	22.78	0.74	0.85
4	A'	1680	1624	2.38	27.61	0.12	0.21
5	A'	1583	1530	124.55	63.08	0.36	0.53
6	A'	1419	1372	23.09	20.19	0.43	0.60
7	A'	1289	1247	1.65	8.44	0.39	0.56
8	A'	1142	1104	71.36	25.38	0.42	0.60
9	A'	891	861	34.30	0.42	0.74	0.85
10	A'	616	595	1.17	8.09	0.21	0.35
11	A'	352	340	1.42	0.89	0.72	0.84
12	A"	1017	984	14.58	3.07	0.75	0.86
13	A"	1009	975	37.45	0.32	0.75	0.86
14	A"	688	665	0.99	3.59	0.75	0.86
15	A"	182	176	0.04	0.82	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.200	1.222
C2	0.000	0.648
N3	-0.044	-0.776
O4	-1.169	-1.232
H5	2.087	0.602
H6	1.322	2.295
H7	-0.950	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3302	2.3539	3.4103	1.0819	1.0803	2.1512
C2	1.3302		1.4253	2.2135	2.0880	2.1118	1.0853
N3	2.3539	1.4253		1.2129	2.5388	3.3616	2.1489
O4	3.4103	2.2135	1.2129		3.7371	4.3175	2.4137
H5	1.0819	2.0880	2.5388	3.7371		1.8576	3.0909
H6	1.0803	2.1118	3.3616	4.3175	1.8576		2.5348
H7	2.1512	1.0853	2.1489	2.4137	3.0909	2.5348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.319	C1	C2	H7	125.599
C2	C1	H5	119.551	C2	C1	H6	122.012
C2	N3	O4	113.829	N3	C2	H7	117.082
H5	C1	H6	118.436

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.215
2	C	-0.010
3	N	0.053
4	O	-0.197
5	H	0.135
6	H	0.139
7	H	0.096

	x	y	z	Total
	1.391	2.875	0.000	3.194
CHELPG
AIM
ESP

	x	y	z
x	6.887	2.111	0.000
y	2.111	6.503	0.000
z	0.000	0.000	2.928

<r²>	75.954
(<r²>)^1/2	8.715

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)