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	hartrees
Energy at 0K	-206.450283
Energy at 298.15K
HF Energy	-206.299780
Nuclear repulsion energy	102.174406

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'	3290	3290	1.34	55.45	0.66	0.79
2	A'	3216	3216	3.66	105.23	0.23	0.37
3	A'	3194	3194	0.44	39.83	0.12	0.21
4	A'	1679	1679	2.61	24.78	0.16	0.27
5	A'	1478	1478	13.26	23.74	0.37	0.54
6	A'	1313	1313	0.76	5.32	0.68	0.81
7	A'	1223	1223	6.75	10.98	0.19	0.31
8	A'	1115	1115	33.60	31.32	0.46	0.63
9	A'	851	851	43.01	2.75	0.61	0.76
10	A'	592	592	1.29	6.50	0.31	0.47
11	A'	334	334	0.99	0.20	0.70	0.82
12	A"	1034	1034	45.55	0.35	0.75	0.86
13	A"	1024	1024	27.21	1.96	0.75	0.86
14	A"	686	686	1.39	10.59	0.75	0.86
15	A"	188	188	0.15	1.76	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.170	1.290
C2	0.000	0.648
N3	0.022	-0.808
O4	-1.191	-1.273
H5	2.095	0.726
H6	1.233	2.370
H7	-0.976	1.118

	C1	C2	N3	O4	H5	H6	H7
C1		1.3348	2.3913	3.4852	1.0834	1.0816	2.1531
C2	1.3348		1.4556	2.2604	2.0963	2.1177	1.0836
N3	2.3913	1.4556		1.2997	2.5780	3.4002	2.1695
O4	3.4852	2.2604	1.2997		3.8462	4.3757	2.4015
H5	1.0834	2.0963	2.5780	3.8462		1.8566	3.0960
H6	1.0816	2.1177	3.4002	4.3757	1.8566		2.5385
H7	2.1531	1.0836	2.1695	2.4015	3.0960	2.5385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.884	C1	C2	H7	125.492
C2	C1	H5	119.835	C2	C1	H6	122.072
C2	N3	O4	110.116	N3	C2	H7	116.625
H5	C1	H6	118.093

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-0.347
2	C	-0.033
3	N	-0.048
4	O	-0.247
5	H	0.230
6	H	0.218
7	H	0.227

	x	y	z	Total
	1.142	2.828	0.000	3.050
CHELPG
AIM
ESP

	x	y	z
x	5.721	2.119	-0.000
y	2.119	5.396	0.000
z	-0.000	0.000	1.424

<r²>	78.295
(<r²>)^1/2	8.848

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)