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	hartrees
Energy at 0K	-207.809229
Energy at 298.15K
HF Energy	-207.809229
Nuclear repulsion energy	105.176771

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	3151	0.54	55.83	0.69	0.81
2	A'	3198	3063	4.34	144.65	0.16	0.28
3	A'	3180	3045	2.52	16.80	0.44	0.61
4	A'	1716	1644	8.74	10.07	0.10	0.18
5	A'	1656	1586	111.40	75.35	0.27	0.42
6	A'	1412	1352	20.41	18.41	0.41	0.58
7	A'	1278	1224	2.01	6.37	0.52	0.68
8	A'	1157	1108	66.36	21.16	0.50	0.67
9	A'	896	858	24.20	0.17	0.10	0.19
10	A'	616	590	1.79	6.61	0.22	0.37
11	A'	336	321	1.33	0.67	0.65	0.79
12	A"	1022	979	19.59	0.32	0.75	0.86
13	A"	1011	968	24.42	1.01	0.75	0.86
14	A"	691	662	0.34	5.46	0.75	0.86
15	A"	180	172	0.05	1.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.212
C2	0.000	0.645
N3	-0.045	-0.777
O4	-1.169	-1.217
H5	2.083	0.583
H6	1.333	2.285
H7	-0.952	1.167

	C1	C2	N3	O4	H5	H6	H7
C1		1.3280	2.3470	3.3934	1.0832	1.0814	2.1535
C2	1.3280		1.4225	2.1984	2.0839	2.1138	1.0860
N3	2.3470	1.4225		1.2068	2.5259	3.3581	2.1450
O4	3.3934	2.1984	1.2068		3.7171	4.3042	2.3937
H5	1.0832	2.0839	2.5259	3.7171		1.8596	3.0908
H6	1.0814	2.1138	3.3581	4.3042	1.8596		2.5444
H7	2.1535	1.0860	2.1450	2.3937	3.0908	2.5444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.103	C1	C2	H7	125.988
C2	C1	H5	119.254	C2	C1	H6	122.316
C2	N3	O4	113.207	N3	C2	H7	116.909
H5	C1	H6	118.430

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.306
2	C	0.077
3	N	0.031
4	O	-0.255
5	H	0.162
6	H	0.159
7	H	0.133

	x	y	z	Total
	1.277	2.725	0.000	3.009
CHELPG
AIM
ESP

	x	y	z
x	6.318	1.990	0.000
y	1.990	6.002	0.000
z	0.000	0.000	2.480

<r²>	75.005
(<r²>)^1/2	8.661

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)