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	hartrees
Energy at 0K	-207.694814
Energy at 298.15K
HF Energy	-207.694814
Nuclear repulsion energy	105.071616

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'	3274	3141	0.45	60.45	0.69	0.82
2	A'	3179	3049	4.48	166.42	0.18	0.30
3	A'	3161	3033	3.86	17.39	0.70	0.82
4	A'	1708	1638	14.15	11.84	0.06	0.11
5	A'	1651	1584	121.10	79.24	0.33	0.49
6	A'	1406	1349	25.70	16.97	0.47	0.64
7	A'	1278	1226	2.65	6.97	0.47	0.64
8	A'	1156	1109	70.84	24.17	0.42	0.59
9	A'	899	863	27.51	0.27	0.55	0.71
10	A'	622	597	1.79	7.38	0.25	0.40
11	A'	347	332	1.64	0.88	0.75	0.85
12	A"	1012	971	8.08	1.86	0.75	0.86
13	A"	1010	969	51.82	1.30	0.75	0.86
14	A"	689	661	1.23	5.15	0.75	0.86
15	A"	180	173	0.07	0.99	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.209
C2	0.000	0.648
N3	-0.050	-0.775
O4	-1.171	-1.218
H5	2.085	0.570
H6	1.345	2.283
H7	-0.951	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3309	2.3480	3.3980	1.0854	1.0834	2.1580
C2	1.3309		1.4233	2.2033	2.0862	2.1173	1.0886
N3	2.3480	1.4233		1.2060	2.5230	3.3609	2.1504
O4	3.3980	2.2033	1.2060		3.7150	4.3118	2.4064
H5	1.0854	2.0862	2.5230	3.7150		1.8661	3.0958
H6	1.0834	2.1173	3.3609	4.3118	1.8661		2.5478
H7	2.1580	1.0886	2.1504	2.4064	3.0958	2.5478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.935	C1	C2	H7	125.934
C2	C1	H5	119.046	C2	C1	H6	122.227
C2	N3	O4	113.597	N3	C2	H7	117.130
H5	C1	H6	118.727

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/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	-0.183
2	C	-0.039
3	N	0.008
4	O	-0.210
5	H	0.151
6	H	0.150
7	H	0.123

	x	y	z	Total
	1.371	2.826	0.000	3.141
CHELPG
AIM
ESP

	x	y	z
x	6.621	2.070	0.000
y	2.070	6.010	0.000
z	0.000	0.000	2.400

<r²>	75.477
(<r²>)^1/2	8.688

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)