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	hartrees
Energy at 0K	-207.739740
Energy at 298.15K
HF Energy	-207.739740
Nuclear repulsion energy	105.210098

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'	3267	3142	0.20	58.04	0.67	0.80
2	A'	3175	3054	4.09	175.96	0.12	0.21
3	A'	3159	3038	2.96	17.87	0.66	0.80
4	A'	1697	1633	7.75	28.56	0.04	0.08
5	A'	1625	1563	141.18	94.97	0.38	0.55
6	A'	1412	1358	26.18	20.74	0.38	0.55
7	A'	1284	1235	2.58	8.06	0.25	0.40
8	A'	1153	1109	78.44	26.78	0.39	0.56
9	A'	899	865	29.13	0.32	0.63	0.77
10	A'	620	597	1.53	9.82	0.10	0.19
11	A'	350	337	1.04	0.78	0.67	0.80
12	A"	1017	978	9.73	3.73	0.75	0.86
13	A"	1006	967	46.49	0.23	0.75	0.86
14	A"	688	661	1.06	0.63	0.75	0.86
15	A"	179	172	0.10	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.207
C2	0.000	0.648
N3	-0.051	-0.771
O4	-1.169	-1.221
H5	2.085	0.576
H6	1.337	2.281
H7	-0.947	1.179

	C1	C2	N3	O4	H5	H6	H7
C1		1.3285	2.3429	3.3958	1.0833	1.0813	2.1524
C2	1.3285		1.4191	2.2041	2.0864	2.1107	1.0864
N3	2.3429	1.4191		1.2052	2.5251	3.3521	2.1463
O4	3.3958	2.2041	1.2052		3.7172	4.3061	2.4109
H5	1.0833	2.0864	2.5251	3.7172		1.8614	3.0920
H6	1.0813	2.1107	3.3521	4.3061	1.8614		2.5362
H7	2.1524	1.0864	2.1463	2.4109	3.0920	2.5362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.971	C1	C2	H7	125.773
C2	C1	H5	119.435	C2	C1	H6	121.953
C2	N3	O4	114.008	N3	C2	H7	117.256
H5	C1	H6	118.613

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	-0.674
2	C	-0.117
3	N	-0.054
4	O	-0.393
5	H	0.392
6	H	0.319
7	H	0.527

	x	y	z	Total
	1.427	2.942	0.000	3.270
CHELPG
AIM
ESP

	x	y	z
x	7.374	2.034	0.000
y	2.034	7.058	0.000
z	0.000	0.000	3.855

<r²>	75.522
(<r²>)^1/2	8.690

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)