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	hartrees
Energy at 0K	-206.474191
Energy at 298.15K
HF Energy	-206.474191
Nuclear repulsion energy	103.115182

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'	3291	3158	0.36	54.95	0.65	0.79
2	A'	3211	3082	3.73	111.50	0.23	0.37
3	A'	3189	3061	0.17	35.65	0.12	0.22
4	A'	1700	1632	2.97	30.96	0.16	0.28
5	A'	1461	1402	15.71	17.20	0.41	0.58
6	A'	1373	1318	42.25	34.44	0.29	0.45
7	A'	1297	1245	1.04	7.48	0.53	0.69
8	A'	1130	1084	37.23	23.95	0.51	0.68
9	A'	867	832	44.80	1.68	0.61	0.76
10	A'	606	582	2.12	6.72	0.30	0.46
11	A'	333	319	0.97	0.35	0.67	0.80
12	A"	1041	999	12.11	2.98	0.75	0.86
13	A"	1034	992	72.46	0.01	0.75	0.86
14	A"	687	660	1.98	9.93	0.75	0.86
15	A"	191	184	0.24	1.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.180	1.264
C2	0.000	0.647
N3	0.001	-0.800
O4	-1.184	-1.253
H5	2.091	0.674
H6	1.266	2.344
H7	-0.969	1.137

	C1	C2	N3	O4	H5	H6	H7
C1		1.3314	2.3764	3.4530	1.0859	1.0837	2.1524
C2	1.3314		1.4464	2.2386	2.0913	2.1173	1.0861
N3	2.3764	1.4464		1.2691	2.5570	3.3886	2.1664
O4	3.4530	2.2386	1.2691		3.7999	4.3522	2.4000
H5	1.0859	2.0913	2.5570	3.7999		1.8635	3.0950
H6	1.0837	2.1173	3.3886	4.3522	1.8635		2.5396
H7	2.1524	1.0861	2.1664	2.4000	3.0950	2.5396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.570	C1	C2	H7	125.531
C2	C1	H5	119.449	C2	C1	H6	122.159
C2	N3	O4	110.880	N3	C2	H7	116.899
H5	C1	H6	118.392

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/3-21G*

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	-0.398
2	C	-0.054
3	N	-0.041
4	O	-0.270
5	H	0.260
6	H	0.247
7	H	0.256

	x	y	z	Total
	1.285	2.951	0.000	3.219
CHELPG
AIM
ESP

	x	y	z
x	5.856	2.160	0.000
y	2.160	5.396	0.000
z	0.000	0.000	1.446

<r²>	77.176
(<r²>)^1/2	8.785

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)