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	hartrees
Energy at 0K	-177.603017
Energy at 298.15K
HF Energy	-177.603017
Nuclear repulsion energy	66.607213

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'	3327	3183	3.83	38.50	0.69	0.82
2	A'	3277	3135	8.31	109.22	0.27	0.42
3	A'	3224	3084	0.58	60.83	0.14	0.24
4	A'	1752	1676	76.59	14.23	0.10	0.18
5	A'	1456	1393	3.02	6.58	0.51	0.68
6	A'	1360	1301	0.13	15.57	0.59	0.74
7	A'	1169	1119	70.70	2.84	0.28	0.44
8	A'	939	898	33.40	5.40	0.38	0.55
9	A'	477	456	4.39	2.24	0.68	0.81
10	A"	996	953	35.63	1.14	0.75	0.86
11	A"	951	910	77.65	1.64	0.75	0.86
12	A"	729	697	1.06	9.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.446
C2	1.202	-0.108
F3	-1.156	-0.318
H4	-0.225	1.505
H5	1.333	-1.183
H6	2.086	0.516

	C1	C2	F3	H4	H5	H6
C1		1.3236	1.3860	1.0823	2.1050	2.0869
C2	1.3236		2.3673	2.1536	1.0828	1.0824
F3	1.3860	2.3673		2.0471	2.6349	3.3476
H4	1.0823	2.1536	2.0471		3.1067	2.5132
H5	2.1050	1.0828	2.6349	3.1067		1.8590
H6	2.0869	1.0824	3.3476	2.5132	1.8590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.714	C1	C2	H6	119.975
C2	C1	F3	121.760	C2	C1	H4	126.762
F3	C1	H4	111.478	H5	C2	H6	118.311

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: HSEh1PBE/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	0.170
2	C	-0.382
3	F	-0.328
4	H	0.178
5	H	0.187
6	H	0.176

	x	y	z	Total
	1.497	1.017	0.000	1.810
CHELPG
AIM
ESP

	x	y	z
x	4.396	-0.450	0.000
y	-0.450	3.069	0.000
z	0.000	0.000	1.214

<r²>	43.653
(<r²>)^1/2	6.607

All results from a given calculation for CH2CHF (Ethene, fluoro-)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)