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	hartrees
Energy at 0K	-206.666909
Energy at 298.15K
HF Energy	-206.666909
Nuclear repulsion energy	101.440661

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'	3182	3162	2.78	61.48	0.67	0.80
2	A'	3098	3078	4.59	147.37	0.15	0.27
3	A'	3084	3064	5.26	19.48	0.71	0.83
4	A'	1612	1602	2.41	18.19	0.14	0.25
5	A'	1420	1411	12.61	19.81	0.36	0.53
6	A'	1257	1249	1.80	4.82	0.75	0.86
7	A'	1227	1219	20.29	17.94	0.25	0.40
8	A'	1064	1057	35.65	24.19	0.49	0.66
9	A'	793	788	54.02	1.60	0.58	0.74
10	A'	564	560	0.15	8.00	0.30	0.46
11	A'	318	316	1.02	0.46	0.66	0.79
12	A"	993	987	35.98	0.20	0.75	0.86
13	A"	975	968	27.26	1.08	0.75	0.86
14	A"	642	638	1.21	9.19	0.75	0.86
15	A"	185	184	0.24	1.70	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.183	1.295
C2	0.000	0.654
N3	0.019	-0.815
O4	-1.202	-1.278
H5	2.109	0.715
H6	1.258	2.383
H7	-0.981	1.137

	C1	C2	N3	O4	H5	H6	H7
C1		1.3455	2.4101	3.5087	1.0923	1.0904	2.1702
C2	1.3455		1.4694	2.2759	2.1096	2.1378	1.0935
N3	2.4101	1.4694		1.3054	2.5903	3.4297	2.1930
O4	3.5087	2.2759	1.3054		3.8644	4.4108	2.4252
H5	1.0923	2.1096	2.5903	3.8644		1.8724	3.1186
H6	1.0904	2.1378	3.4297	4.4108	1.8724		2.5625
H7	2.1702	1.0935	2.1930	2.4252	3.1186	2.5625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.720	C1	C2	H7	125.374
C2	C1	H5	119.484	C2	C1	H6	122.372
C2	N3	O4	110.067	N3	C2	H7	116.906
H5	C1	H6	118.145

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/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	-0.317
2	C	-0.011
3	N	-0.050
4	O	-0.240
5	H	0.215
6	H	0.203
7	H	0.200

	x	y	z	Total
	1.209	2.830	0.000	3.077
CHELPG
AIM
ESP

	x	y	z
x	5.946	2.219	0.000
y	2.219	5.798	0.000
z	0.000	0.000	1.463

<r²>	79.082
(<r²>)^1/2	8.893

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)