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	hartrees
Energy at 0K	-207.539228
Energy at 298.15K
HF Energy	-207.389026
Nuclear repulsion energy	102.726969

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'	3303	3303	2.33	61.44	0.67	0.81
2	A'	3216	3216	5.70	137.97	0.18	0.31
3	A'	3197	3197	1.20	27.98	0.19	0.32
4	A'	1684	1684	5.37	33.89	0.18	0.30
5	A'	1470	1470	18.53	24.35	0.37	0.54
6	A'	1350	1350	31.12	17.74	0.34	0.51
7	A'	1316	1316	11.26	21.99	0.33	0.49
8	A'	1155	1155	58.69	28.39	0.50	0.66
9	A'	905	905	32.24	0.44	0.74	0.85
10	A'	607	607	2.62	8.85	0.31	0.48
11	A'	346	346	1.43	0.34	0.70	0.82
12	A"	1030	1030	64.26	0.54	0.75	0.86
13	A"	1024	1024	4.74	1.90	0.75	0.86
14	A"	690	690	0.54	9.85	0.75	0.86
15	A"	190	190	0.16	1.17	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.255
C2	0.000	0.656
N3	-0.018	-0.782
O4	-1.194	-1.269
H5	2.108	0.654
H6	1.309	2.333
H7	-0.959	1.168

	C1	C2	N3	O4	H5	H6	H7
C1		1.3446	2.3750	3.4813	1.0851	1.0834	2.1648
C2	1.3446		1.4379	2.2652	2.1076	2.1275	1.0869
N3	2.3750	1.4379		1.2731	2.5652	3.3858	2.1645
O4	3.4813	2.2652	1.2731		3.8210	4.3864	2.4475
H5	1.0851	2.1076	2.5652	3.8210		1.8592	3.1093
H6	1.0834	2.1275	3.3858	4.3864	1.8592		2.5502
H7	2.1648	1.0869	2.1645	2.4475	3.1093	2.5502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.160	C1	C2	H7	125.491
C2	C1	H5	119.948	C2	C1	H6	122.015
C2	N3	O4	113.205	N3	C2	H7	117.350
H5	C1	H6	118.037

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-0.252
2	C	0.025
3	N	-0.013
4	O	-0.286
5	H	0.180
6	H	0.168
7	H	0.179

	x	y	z	Total
	1.469	3.294	0.000	3.607
CHELPG
AIM
ESP

	x	y	z
x	6.245	2.294	0.000
y	2.294	5.857	0.000
z	0.000	0.000	1.718

<r²>	78.254
(<r²>)^1/2	8.846

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)