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	hartrees
Energy at 0K	-207.848486
Energy at 298.15K
HF Energy	-207.848486
Nuclear repulsion energy	105.224004

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'	3279	3148	0.86	61.63	0.69	0.81
2	A'	3185	3058	4.95	167.77	0.18	0.31
3	A'	3168	3041	3.85	17.27	0.60	0.75
4	A'	1711	1643	11.31	13.68	0.07	0.13
5	A'	1653	1587	121.06	76.94	0.33	0.50
6	A'	1410	1354	23.47	17.26	0.47	0.64
7	A'	1279	1228	2.34	6.94	0.47	0.64
8	A'	1155	1109	69.75	24.18	0.42	0.60
9	A'	898	863	27.08	0.27	0.57	0.73
10	A'	619	594	1.78	7.10	0.25	0.40
11	A'	343	329	1.75	0.83	0.75	0.85
12	A"	1014	974	9.21	1.64	0.75	0.86
13	A"	1011	970	49.44	1.23	0.75	0.86
14	A"	690	662	1.20	5.25	0.75	0.86
15	A"	179	172	0.05	0.98	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.208
C2	0.000	0.647
N3	-0.048	-0.775
O4	-1.169	-1.217
H5	2.080	0.572
H6	1.340	2.280
H7	-0.950	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3279	2.3449	3.3927	1.0825	1.0806	2.1535
C2	1.3279		1.4227	2.2003	2.0813	2.1124	1.0856
N3	2.3449	1.4227		1.2049	2.5188	3.3554	2.1463
O4	3.3927	2.2003	1.2049		3.7092	4.3040	2.4001
H5	1.0825	2.0813	2.5188	3.7092		1.8609	3.0885
H6	1.0806	2.1124	3.3554	4.3040	1.8609		2.5432
H7	2.1535	1.0856	2.1463	2.4001	3.0885	2.5432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.931	C1	C2	H7	126.030
C2	C1	H5	119.061	C2	C1	H6	122.243
C2	N3	O4	113.473	N3	C2	H7	117.038
H5	C1	H6	118.696

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/6-311G**

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	-0.187
2	C	-0.038
3	N	0.009
4	O	-0.209
5	H	0.151
6	H	0.148
7	H	0.126

	x	y	z	Total
	1.364	2.810	0.000	3.123
CHELPG
AIM
ESP

	x	y	z
x	6.572	2.050	0.000
y	2.050	5.962	0.000
z	0.000	0.000	2.386

<r²>	75.255
(<r²>)^1/2	8.675

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)