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	hartrees
Energy at 0K	-206.730937
Energy at 298.15K
HF Energy	-206.730937
Nuclear repulsion energy	106.199391

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'	3401	3090	2.40	59.34	0.69	0.82
2	A'	3337	3032	4.95	105.66	0.28	0.44
3	A'	3304	3001	1.93	47.39	0.15	0.27
4	A'	1923	1747	167.15	70.08	0.39	0.56
5	A'	1834	1667	5.68	107.00	0.21	0.35
6	A'	1533	1393	16.28	25.95	0.42	0.59
7	A'	1392	1265	1.29	11.07	0.36	0.53
8	A'	1270	1154	61.51	34.88	0.48	0.65
9	A'	981	892	19.39	1.04	0.74	0.85
10	A'	666	605	4.59	5.88	0.25	0.40
11	A'	382	347	2.29	0.47	0.75	0.86
12	A"	1127	1024	30.98	7.00	0.75	0.86
13	A"	1093	993	39.65	1.96	0.75	0.86
14	A"	750	681	2.44	6.95	0.75	0.86
15	A"	183	167	0.01	0.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.189	1.211
C2	0.000	0.644
N3	-0.056	-0.781
O4	-1.147	-1.215
H5	2.077	0.605
H6	1.303	2.280
H7	-0.943	1.164

	C1	C2	N3	O4	H5	H6	H7
C1		1.3169	2.3490	3.3675	1.0753	1.0743	2.1320
C2	1.3169		1.4262	2.1843	2.0770	2.0907	1.0764
N3	2.3490	1.4262		1.1738	2.5436	3.3485	2.1370
O4	3.3675	2.1843	1.1738		3.7017	4.2673	2.3871
H5	1.0753	2.0770	2.5436	3.7017		1.8447	3.0708
H6	1.0743	2.0907	3.3485	4.2673	1.8447		2.5076
H7	2.1320	1.0764	2.1370	2.3871	3.0708	2.5076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.761	C1	C2	H7	125.651
C2	C1	H5	120.177	C2	C1	H6	121.604
C2	N3	O4	113.956	N3	C2	H7	116.588
H5	C1	H6	118.219

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/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	-0.141
2	C	-0.052
3	N	0.063
4	O	-0.265
5	H	0.140
6	H	0.135
7	H	0.121

	x	y	z	Total
	1.435	2.814	0.000	3.159
CHELPG
AIM
ESP

	x	y	z
x	6.563	2.141	0.000
y	2.141	5.400	0.000
z	0.000	0.000	2.370

<r²>	74.763
(<r²>)^1/2	8.647

All results from a given calculation for C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)