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	hartrees
Energy at 0K	-206.632402
Energy at 298.15K
HF Energy	-206.632402
Nuclear repulsion energy	102.881544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3144	0.68
2	A'	3197	3067	4.37
3	A'	3177	3048	0.48
4	A'	1686	1617	2.92
5	A'	1457	1398	15.66
6	A'	1346	1292	38.00
7	A'	1293	1241	1.62
8	A'	1121	1075	37.39
9	A'	857	822	47.22
10	A'	600	575	1.70
11	A'	331	318	0.95
12	A"	1033	991	5.60
13	A"	1028	986	77.09
14	A"	680	653	1.81
15	A"	191	183	0.24

Atom	x (Å)	y (Å)
C1	1.180	1.269
C2	0.000	0.648
N3	0.004	-0.801
O4	-1.186	-1.258
H5	2.094	0.683
H6	1.262	2.350
H7	-0.970	1.138

	C1	C2	N3	O4	H5	H6	H7
C1		1.3332	2.3807	3.4615	1.0860	1.0841	2.1532
C2	1.3332		1.4488	2.2446	2.0942	2.1190	1.0864
N3	2.3807	1.4488		1.2746	2.5633	3.3930	2.1695
O4	3.4615	2.2446	1.2746		3.8112	4.3601	2.4055
H5	1.0860	2.0942	2.5633	3.8112		1.8632	3.0970
H6	1.0841	2.1190	3.3930	4.3601	1.8632		2.5394
H7	2.1532	1.0864	2.1695	2.4055	3.0970	2.5394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.629	C1	C2	H7	125.405
C2	C1	H5	119.559	C2	C1	H6	122.131
C2	N3	O4	110.852	N3	C2	H7	116.966
H5	C1	H6	118.311

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/3-21G*

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	-0.391
2	C	-0.049
3	N	-0.044
4	O	-0.267
5	H	0.257
6	H	0.243
7	H	0.250

	x	y	z	Total
	1.287	2.968	0.000	3.235
CHELPG
AIM
ESP

	x	y	z
x	5.864	2.175	0.000
y	2.175	5.463	0.000
z	0.000	0.000	1.449

<r²>	77.419
(<r²>)^1/2	8.799

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)