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	hartrees
Energy at 0K	-207.796100
Energy at 298.15K
HF Energy	-207.796100
Nuclear repulsion energy	104.541759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3145	1.18
2	A'	3196	3058	4.54
3	A'	3179	3041	5.53
4	A'	1706	1632	2.18
5	A'	1629	1559	118.12
6	A'	1428	1366	21.61
7	A'	1293	1237	1.16
8	A'	1161	1110	69.22
9	A'	903	864	28.64
10	A'	615	589	1.92
11	A'	343	328	1.29
12	A"	1013	969	38.97
13	A"	1001	958	18.14
14	A"	680	651	0.54
15	A"	181	173	0.10

Atom	x (Å)	y (Å)
C1	1.208	1.218
C2	0.000	0.646
N3	-0.043	-0.779
O4	-1.179	-1.224
H5	2.098	0.593
H6	1.338	2.295
H7	-0.953	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3367	2.3565	3.4145	1.0869	1.0854	2.1613
C2	1.3367		1.4256	2.2103	2.0984	2.1236	1.0901
N3	2.3565	1.4256		1.2195	2.5429	3.3702	2.1560
O4	3.4145	2.2103	1.2195		3.7465	4.3263	2.4103
H5	1.0869	2.0984	2.5429	3.7465		1.8643	3.1055
H6	1.0854	2.1236	3.3702	4.3263	1.8643		2.5491
H7	2.1613	1.0901	2.1560	2.4103	3.1055	2.5491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.062	C1	C2	H7	125.589
C2	C1	H5	119.596	C2	C1	H6	122.165
C2	N3	O4	113.133	N3	C2	H7	117.349
H5	C1	H6	118.240

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G*

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	-0.354
2	C	0.032
3	N	0.004
4	O	-0.281
5	H	0.210
6	H	0.201
7	H	0.188

	x	y	z	Total
	1.394	2.889	0.000	3.208
CHELPG
AIM
ESP

	x	y	z
x	6.296	2.122	0.000
y	2.122	5.888	0.000
z	0.000	0.000	1.981

<r²>	75.769
(<r²>)^1/2	8.705

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)