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	hartrees
Energy at 0K	-207.724238
Energy at 298.15K
HF Energy	-207.488991
Nuclear repulsion energy	104.521682

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'	3295	3147	0.38	54.16	0.69	0.82
2	A'	3206	3061	3.98	135.61	0.17	0.29
3	A'	3188	3045	1.31	19.98	0.30	0.46
4	A'	1680	1604	1.85	26.65	0.16	0.27
5	A'	1542	1473	81.66	44.34	0.29	0.45
6	A'	1425	1361	20.17	21.13	0.38	0.55
7	A'	1289	1231	1.39	6.96	0.49	0.65
8	A'	1155	1103	65.92	23.17	0.49	0.66
9	A'	899	858	26.93	0.13	0.36	0.53
10	A'	613	586	1.37	6.87	0.23	0.37
11	A'	342	327	1.29	0.55	0.66	0.79
12	A"	1024	978	26.59	0.15	0.75	0.86
13	A"	1006	961	16.68	1.19	0.75	0.86
14	A"	694	663	0.30	5.36	0.75	0.86
15	A"	180	172	0.05	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.203	1.223
C2	0.000	0.646
N3	-0.038	-0.780
O4	-1.177	-1.227
H5	2.091	0.602
H6	1.326	2.297
H7	-0.955	1.164

	C1	C2	N3	O4	H5	H6	H7
C1		1.3342	2.3564	3.4158	1.0830	1.0815	2.1586
C2	1.3342		1.4268	2.2124	2.0910	2.1179	1.0858
N3	2.3564	1.4268		1.2237	2.5380	3.3663	2.1490
O4	3.4158	2.2124	1.2237		3.7448	4.3230	2.4010
H5	1.0830	2.0910	2.5380	3.7448		1.8596	3.0965
H6	1.0815	2.1179	3.3663	4.3230	1.8596		2.5472
H7	2.1586	1.0858	2.1490	2.4010	3.0965	2.5472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.133	C1	C2	H7	125.934
C2	C1	H5	119.417	C2	C1	H6	122.147
C2	N3	O4	112.949	N3	C2	H7	116.933
H5	C1	H6	118.436

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-0.303
2	C	0.062
3	N	0.041
4	O	-0.250
5	H	0.160
6	H	0.158
7	H	0.133

	x	y	z	Total
	1.246	2.737	0.000	3.007
CHELPG
AIM
ESP

	x	y	z
x	6.274	2.014	0.000
y	2.014	6.031	0.000
z	0.000	0.000	2.464

<r²>	75.819
(<r²>)^1/2	8.707

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)