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	hartrees
Energy at 0K	-206.576049
Energy at 298.15K
HF Energy	-206.576049
Nuclear repulsion energy	105.149283

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'	3452	3117	2.31	63.26	0.67	0.80
2	A'	3388	3059	4.56	99.65	0.25	0.40
3	A'	3352	3027	0.90	53.07	0.11	0.20
4	A'	1855	1675	6.13	91.44	0.22	0.36
5	A'	1771	1599	151.60	102.74	0.34	0.51
6	A'	1578	1425	13.41	28.08	0.39	0.57
7	A'	1432	1293	5.78	17.66	0.40	0.57
8	A'	1281	1157	51.90	35.61	0.52	0.68
9	A'	1001	904	22.98	2.04	0.62	0.77
10	A'	665	600	7.29	7.48	0.31	0.47
11	A'	384	347	1.95	0.29	0.74	0.85
12	A"	1189	1074	36.41	8.24	0.75	0.86
13	A"	1122	1013	57.16	2.51	0.75	0.86
14	A"	764	690	1.87	13.95	0.75	0.86
15	A"	197	178	0.02	0.89	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.188	1.231
C2	0.000	0.650
N3	-0.046	-0.771
O4	-1.155	-1.249
H5	2.083	0.640
H6	1.292	2.297
H7	-0.941	1.164

	C1	C2	N3	O4	H5	H6	H7
C1		1.3222	2.3512	3.4112	1.0724	1.0712	2.1300
C2	1.3222		1.4214	2.2222	2.0830	2.0936	1.0726
N3	2.3512	1.4214		1.2079	2.5540	3.3470	2.1323
O4	3.4112	2.2222	1.2079		3.7488	4.3082	2.4223
H5	1.0724	2.0830	2.5540	3.7488		1.8355	3.0692
H6	1.0712	2.0936	3.3470	4.3082	1.8355		2.5044
H7	2.1300	1.0726	2.1323	2.4223	3.0692	2.5044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.911	C1	C2	H7	125.273
C2	C1	H5	120.527	C2	C1	H6	121.677
C2	N3	O4	115.138	N3	C2	H7	116.816
H5	C1	H6	117.796

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/6-31G

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	-0.304
2	C	-0.015
3	N	0.038
4	O	-0.368
5	H	0.216
6	H	0.201
7	H	0.231

	x	y	z	Total
	1.752	3.468	0.000	3.885
CHELPG
AIM
ESP

	x	y	z
x	6.526	2.425	0.000
y	2.425	5.292	0.000
z	0.000	0.000	1.671

<r²>	76.137
(<r²>)^1/2	8.726

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)