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	hartrees
Energy at 0K	-207.894226
Energy at 298.15K
HF Energy	-207.894226
Nuclear repulsion energy	104.608441

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'	3259	3145	0.85	57.36	0.69	0.82
2	A'	3170	3059	3.95	147.39	0.15	0.25
3	A'	3152	3042	4.52	17.74	0.74	0.85
4	A'	1686	1627	2.02	17.95	0.13	0.23
5	A'	1601	1545	111.88	59.70	0.28	0.44
6	A'	1415	1366	19.79	20.02	0.39	0.56
7	A'	1281	1237	1.20	7.54	0.50	0.67
8	A'	1144	1104	66.58	21.71	0.50	0.66
9	A'	888	857	30.00	0.10	0.34	0.51
10	A'	614	592	1.35	7.29	0.23	0.37
11	A'	343	331	1.28	0.75	0.64	0.78
12	A"	1018	982	24.68	0.19	0.75	0.86
13	A"	1007	972	16.39	1.19	0.75	0.86
14	A"	686	662	0.23	5.54	0.75	0.86
15	A"	183	177	0.05	1.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.226
C2	0.000	0.647
N3	-0.041	-0.781
O4	-1.172	-1.230
H5	2.093	0.608
H6	1.323	2.302
H7	-0.956	1.167

	C1	C2	N3	O4	H5	H6	H7
C1		1.3331	2.3604	3.4150	1.0850	1.0835	2.1575
C2	1.3331		1.4285	2.2128	2.0934	2.1195	1.0883
N3	2.3604	1.4285		1.2164	2.5470	3.3721	2.1520
O4	3.4150	2.2128	1.2164		3.7471	4.3251	2.4069
H5	1.0850	2.0934	2.5470	3.7471		1.8606	3.0996
H6	1.0835	2.1195	3.3721	4.3251	1.8606		2.5465
H7	2.1575	1.0883	2.1520	2.4069	3.0996	2.5465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.410	C1	C2	H7	125.701
C2	C1	H5	119.570	C2	C1	H6	122.244
C2	N3	O4	113.331	N3	C2	H7	116.889
H5	C1	H6	118.186

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	-0.284
2	C	0.089
3	N	0.019
4	O	-0.236
5	H	0.148
6	H	0.147
7	H	0.117

	x	y	z	Total
	1.303	2.775	0.000	3.066
CHELPG
AIM
ESP

	x	y	z
x	6.374	2.053	0.000
y	2.053	6.132	0.000
z	0.000	0.000	2.468

<r²>	75.806
(<r²>)^1/2	8.707

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)