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	hartrees
Energy at 0K	-207.846171
Energy at 298.15K
HF Energy	-207.846171
Nuclear repulsion energy	104.857028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3138	2.11
2	A'	3167	3049	6.02
3	A'	3150	3033	8.00
4	A'	1695	1632	4.70
5	A'	1621	1560	125.75
6	A'	1416	1363	24.70
7	A'	1287	1239	1.88
8	A'	1152	1109	70.93
9	A'	898	864	32.48
10	A'	619	596	1.55
11	A'	347	334	1.58
12	A"	1007	969	37.22
13	A"	998	960	25.98
14	A"	682	656	1.26
15	A"	181	174	0.10

Atom	x (Å)	y (Å)
C1	1.205	1.216
C2	0.000	0.647
N3	-0.047	-0.777
O4	-1.172	-1.224
H5	2.091	0.589
H6	1.337	2.292
H7	-0.953	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3327	2.3536	3.4061	1.0857	1.0841	2.1582
C2	1.3327		1.4245	2.2072	2.0921	2.1198	1.0892
N3	2.3536	1.4245		1.2106	2.5372	3.3665	2.1515
O4	3.4061	2.2072	1.2106		3.7329	4.3189	2.4080
H5	1.0857	2.0921	2.5372	3.7329		1.8629	3.0999
H6	1.0841	2.1198	3.3665	4.3189	1.8629		2.5476
H7	2.1582	1.0892	2.1515	2.4080	3.0999	2.5476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.174	C1	C2	H7	125.733
C2	C1	H5	119.433	C2	C1	H6	122.262
C2	N3	O4	113.533	N3	C2	H7	117.093
H5	C1	H6	118.305

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/6-311G*

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	-0.405
2	C	-0.100
3	N	0.006
4	O	-0.212
5	H	0.248
6	H	0.245
7	H	0.217

	x	y	z	Total
	1.397	2.889	0.000	3.209
CHELPG
AIM
ESP

	x	y	z
x	6.590	2.106	0.000
y	2.106	6.051	0.000
z	0.000	0.000	2.338

<r²>	75.738
(<r²>)^1/2	8.703

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)