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	hartrees
Energy at 0K	-205.108508
Energy at 298.15K
HF Energy	-205.108508
Nuclear repulsion energy	100.889229

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'	3581	3162	3.02	40.95	0.73	0.84
2	A'	3460	3055	0.06	61.03	0.19	0.32
3	A'	3418	3018	34.22	25.59	0.20	0.33
4	A'	1817	1604	4.64	16.36	0.13	0.23
5	A'	1626	1435	11.56	15.89	0.19	0.32
6	A'	1520	1342	6.97	27.83	0.44	0.61
7	A'	1346	1189	0.24	7.78	0.70	0.82
8	A'	1147	1012	30.70	13.63	0.71	0.83
9	A'	892	787	36.11	0.47	0.63	0.77
10	A'	561	495	0.01	4.59	0.33	0.50
11	A'	311	274	0.05	0.31	0.72	0.84
12	A"	1081	955	14.26	0.14	0.75	0.86
13	A"	1027	907	15.98	0.18	0.75	0.86
14	A"	621	549	0.45	5.06	0.75	0.86
15	A"	140	124	0.60	0.98	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.167	1.323
C2	0.000	0.677
N3	0.015	-0.851
O4	-1.184	-1.300
H5	2.112	0.768
H6	1.232	2.416
H7	-0.982	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3343	2.4604	3.5228	1.0957	1.0953	2.1550
C2	1.3343		1.5278	2.3043	2.1143	2.1315	1.1006
N3	2.4604	1.5278		1.2807	2.6495	3.4864	2.2564
O4	3.5228	2.3043	1.2807		3.8916	4.4326	2.4813
H5	1.0957	2.1143	2.6495	3.8916		1.8687	3.1211
H6	1.0953	2.1315	3.4864	4.4326	1.8687		2.5392
H7	2.1550	1.1006	2.2564	2.4813	3.1211	2.5392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.394	C1	C2	H7	124.234
C2	C1	H5	120.620	C2	C1	H6	122.326
C2	N3	O4	109.959	N3	C2	H7	117.372
H5	C1	H6	117.055

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/STO-3G

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	-0.144
2	C	-0.041
3	N	-0.037
4	O	-0.072
5	H	0.103
6	H	0.097
7	H	0.093

	x	y	z	Total
	0.336	1.862	0.000	1.893
CHELPG
AIM
ESP

	x	y	z
x	3.782	1.657	0.000
y	1.657	3.681	0.000
z	0.000	0.000	0.755

<r²>	79.082
(<r²>)^1/2	8.893

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)