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	hartrees
Energy at 0K	-206.610507
Energy at 298.15K
HF Energy	-206.610507
Nuclear repulsion energy	103.056949

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'	3299	3125	0.12	50.29	0.66	0.80
2	A'	3228	3057	2.14	98.97	0.22	0.36
3	A'	3206	3037	0.11	37.75	0.12	0.22
4	A'	1723	1632	2.31	34.64	0.17	0.29
5	A'	1469	1391	11.75	16.65	0.43	0.60
6	A'	1428	1352	46.41	41.99	0.29	0.45
7	A'	1302	1233	1.06	6.77	0.56	0.72
8	A'	1137	1077	32.22	23.19	0.54	0.70
9	A'	871	825	40.46	2.27	0.63	0.78
10	A'	607	575	2.45	5.64	0.31	0.47
11	A'	337	319	1.08	0.19	0.72	0.84
12	A"	1061	1005	26.68	2.56	0.75	0.86
13	A"	1042	987	54.84	0.36	0.75	0.86
14	A"	693	657	2.15	10.66	0.75	0.86
15	A"	187	177	0.12	1.52	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.179	1.266
C2	0.000	0.654
N3	-0.000	-0.806
O4	-1.182	-1.254
H5	2.088	0.675
H6	1.267	2.345
H7	-0.971	1.136

	C1	C2	N3	O4	H5	H6	H7
C1		1.3281	2.3842	3.4528	1.0847	1.0825	2.1535
C2	1.3281		1.4603	2.2441	2.0885	2.1128	1.0840
N3	2.3842	1.4603		1.2637	2.5608	3.3964	2.1715
O4	3.4528	2.2441	1.2637		3.7970	4.3527	2.3990
H5	1.0847	2.0885	2.5608	3.7970		1.8608	3.0938
H6	1.0825	2.1128	3.3964	4.3527	1.8608		2.5433
H7	2.1535	1.0840	2.1715	2.3990	3.0938	2.5433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.450	C1	C2	H7	126.147
C2	C1	H5	119.563	C2	C1	H6	122.110
C2	N3	O4	110.736	N3	C2	H7	116.402
H5	C1	H6	118.328

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/3-21G*

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	-0.366
2	C	-0.056
3	N	-0.023
4	O	-0.274
5	H	0.244
6	H	0.232
7	H	0.244

	x	y	z	Total
	1.255	2.884	0.000	3.145
CHELPG
AIM
ESP

	x	y	z
x	5.761	2.058	0.000
y	2.058	5.175	0.000
z	0.000	0.000	1.416

<r²>	77.415
(<r²>)^1/2	8.799

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)