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	hartrees
Energy at 0K	-207.740107
Energy at 298.15K
HF Energy	-207.740107
Nuclear repulsion energy	105.209779

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	3267	0.20	57.82	0.66	0.80
2	A'	3174	3174	4.00	175.58	0.12	0.21
3	A'	3158	3158	3.09	17.87	0.69	0.82
4	A'	1697	1697	7.82	28.72	0.04	0.08
5	A'	1626	1626	140.53	94.30	0.38	0.55
6	A'	1412	1412	26.16	20.81	0.38	0.55
7	A'	1284	1284	2.56	8.10	0.25	0.40
8	A'	1153	1153	78.43	26.80	0.39	0.56
9	A'	899	899	29.21	0.29	0.66	0.79
10	A'	620	620	1.50	9.97	0.10	0.18
11	A'	350	350	1.03	0.76	0.68	0.81
12	A"	1018	1018	8.46	3.77	0.75	0.86
13	A"	1006	1006	47.65	0.26	0.75	0.86
14	A"	688	688	1.07	0.68	0.75	0.86
15	A"	180	180	0.10	0.26	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	2.280
H7	-0.947	1.180

	C1	C2	N3	O4	H5	H6	H7
C1		1.3285	2.3430	3.3958	1.0833	1.0813	2.1524
C2	1.3285		1.4193	2.2043	2.0864	2.1106	1.0865
N3	2.3430	1.4193		1.2050	2.5251	3.3522	2.1465
O4	3.3958	2.2043	1.2050		3.7171	4.3062	2.4113
H5	1.0833	2.0864	2.5251	3.7171		1.8614	3.0920
H6	1.0813	2.1106	3.3522	4.3062	1.8614		2.5361
H7	2.1524	1.0865	2.1465	2.4113	3.0920	2.5361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.968	C1	C2	H7	125.772
C2	C1	H5	119.436	C2	C1	H6	121.952
C2	N3	O4	114.021	N3	C2	H7	117.261
H5	C1	H6	118.613

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/daug-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	-0.994
2	C	0.049
3	N	-0.327
4	O	-0.739
5	H	0.468
6	H	0.374
7	H	1.169

	x	y	z	Total
	1.424	2.939	0.000	3.265
CHELPG
AIM
ESP

	x	y	z
x	7.392	2.020	0.000
y	2.020	7.074	0.000
z	0.000	0.000	3.882

<r²>	75.521
(<r²>)^1/2	8.690

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)