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	hartrees
Energy at 0K	-207.864517
Energy at 298.15K
HF Energy	-207.864517
Nuclear repulsion energy	105.264122

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'	3271	3271	0.04	53.82	0.64	0.78
2	A'	3190	3190	2.99	131.00	0.17	0.29
3	A'	3170	3170	0.18	33.97	0.12	0.21
4	A'	1730	1730	43.64	8.35	0.04	0.08
5	A'	1689	1689	100.19	126.95	0.27	0.43
6	A'	1423	1423	20.32	21.35	0.38	0.55
7	A'	1291	1291	1.47	7.67	0.27	0.43
8	A'	1160	1160	68.10	27.94	0.46	0.63
9	A'	903	903	28.09	0.83	0.75	0.86
10	A'	626	626	1.56	7.41	0.11	0.20
11	A'	362	362	1.19	0.51	0.67	0.80
12	A"	1029	1029	16.59	4.02	0.75	0.86
13	A"	1012	1012	41.23	0.13	0.75	0.86
14	A"	694	694	1.71	0.93	0.75	0.86
15	A"	175	175	0.06	0.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.209
C2	0.000	0.652
N3	-0.051	-0.779
O4	-1.165	-1.218
H5	2.080	0.576
H6	1.335	2.281
H7	-0.951	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3245	2.3495	3.3902	1.0824	1.0803	2.1529
C2	1.3245		1.4323	2.2037	2.0818	2.1059	1.0846
N3	2.3495	1.4323		1.1981	2.5254	3.3590	2.1510
O4	3.3902	2.2037	1.1981		3.7087	4.3006	2.4022
H5	1.0824	2.0818	2.5254	3.7087		1.8602	3.0895
H6	1.0803	2.1059	3.3590	4.3006	1.8602		2.5395
H7	2.1529	1.0846	2.1510	2.4022	3.0895	2.5395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.861	C1	C2	H7	126.380
C2	C1	H5	119.409	C2	C1	H6	121.929
C2	N3	O4	113.518	N3	C2	H7	116.760
H5	C1	H6	118.662

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.361
2	C	0.300
3	N	-0.214
4	O	-0.340
5	H	0.205
6	H	0.201
7	H	0.210

	x	y	z	Total
	1.325	2.813	0.000	3.109
CHELPG
AIM
ESP

	x	y	z
x	7.073	1.971	0.000
y	1.971	6.656	0.000
z	0.000	0.000	3.726

<r²>	75.524
(<r²>)^1/2	8.690

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)