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	hartrees
Energy at 0K	-207.713647
Energy at 298.15K
HF Energy	-207.713647
Nuclear repulsion energy	105.075740

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'	3272	3143	0.53	61.03	0.69	0.81
2	A'	3177	3051	4.50	167.50	0.17	0.30
3	A'	3159	3034	4.38	18.12	0.73	0.84
4	A'	1705	1637	12.68	12.75	0.07	0.12
5	A'	1646	1581	122.24	77.34	0.33	0.50
6	A'	1407	1351	25.79	17.02	0.47	0.64
7	A'	1278	1228	2.60	7.05	0.47	0.64
8	A'	1155	1109	70.92	24.25	0.41	0.58
9	A'	899	864	27.68	0.27	0.57	0.73
10	A'	623	598	1.83	7.50	0.25	0.40
11	A'	348	334	1.66	0.90	0.75	0.85
12	A"	1013	972	6.05	2.02	0.75	0.86
13	A"	1010	970	53.75	1.16	0.75	0.86
14	A"	690	662	1.21	5.13	0.75	0.86
15	A"	181	174	0.07	0.99	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.209
C2	0.000	0.648
N3	-0.050	-0.774
O4	-1.171	-1.219
H5	2.084	0.571
H6	1.344	2.283
H7	-0.951	1.177

	C1	C2	N3	O4	H5	H6	H7
C1		1.3309	2.3477	3.3983	1.0851	1.0831	2.1578
C2	1.3309		1.4226	2.2034	2.0859	2.1172	1.0884
N3	2.3477	1.4226		1.2063	2.5228	3.3603	2.1495
O4	3.3983	2.2034	1.2063		3.7152	4.3118	2.4061
H5	1.0851	2.0859	2.5228	3.7152		1.8655	3.0953
H6	1.0831	2.1172	3.3603	4.3118	1.8655		2.5477
H7	2.1578	1.0884	2.1495	2.4061	3.0953	2.5477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.953	C1	C2	H7	125.929
C2	C1	H5	119.040	C2	C1	H6	122.243
C2	N3	O4	113.628	N3	C2	H7	117.118
H5	C1	H6	118.717

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-311G**

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	-0.184
2	C	-0.039
3	N	0.008
4	O	-0.209
5	H	0.151
6	H	0.150
7	H	0.123

	x	y	z	Total
	1.378	2.837	0.000	3.154
CHELPG
AIM
ESP

	x	y	z
x	6.628	2.073	0.000
y	2.073	6.022	0.000
z	0.000	0.000	2.401

<r²>	75.479
(<r²>)^1/2	8.688

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)