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	hartrees
Energy at 0K	-207.676153
Energy at 298.15K
HF Energy	-207.471420
Nuclear repulsion energy	104.193962

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'	3310	3140	1.27	59.04	0.69	0.82
2	A'	3221	3056	4.48	144.09	0.16	0.28
3	A'	3206	3041	2.68	15.91	0.48	0.65
4	A'	1697	1610	2.48	27.42	0.17	0.29
5	A'	1537	1459	78.20	40.46	0.30	0.46
6	A'	1447	1372	20.31	23.86	0.38	0.55
7	A'	1308	1241	0.95	7.83	0.50	0.66
8	A'	1170	1110	67.73	24.90	0.50	0.66
9	A'	913	866	27.90	0.09	0.71	0.83
10	A'	615	584	1.78	6.97	0.27	0.43
11	A'	349	331	1.39	0.49	0.69	0.81
12	A"	1019	966	38.85	0.08	0.75	0.86
13	A"	997	946	14.24	1.29	0.75	0.86
14	A"	688	653	0.46	8.20	0.75	0.86
15	A"	180	171	0.06	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.225
C2	0.000	0.646
N3	-0.035	-0.780
O4	-1.183	-1.230
H5	2.098	0.608
H6	1.327	2.301
H7	-0.955	1.167

	C1	C2	N3	O4	H5	H6	H7
C1		1.3382	2.3583	3.4258	1.0844	1.0831	2.1619
C2	1.3382		1.4267	2.2178	2.0983	2.1217	1.0874
N3	2.3583	1.4267		1.2331	2.5446	3.3692	2.1533
O4	3.4258	2.2178	1.2331		3.7605	4.3326	2.4074
H5	1.0844	2.0983	2.5446	3.7605		1.8607	3.1034
H6	1.0831	2.1217	3.3692	4.3326	1.8607		2.5485
H7	2.1619	1.0874	2.1533	2.4074	3.1034	2.5485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.033	C1	C2	H7	125.757
C2	C1	H5	119.664	C2	C1	H6	122.045
C2	N3	O4	112.779	N3	C2	H7	117.209
H5	C1	H6	118.291

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP=FULLultrafine/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	-0.319
2	C	0.036
3	N	0.003
4	O	-0.274
5	H	0.193
6	H	0.185
7	H	0.175

	x	y	z	Total
	1.340	2.851	0.000	3.150
CHELPG
AIM
ESP

	x	y	z
x	6.188	2.096	0.000
y	2.096	5.820	0.000
z	0.000	0.000	1.952

<r²>	76.216
(<r²>)^1/2	8.730

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)