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	hartrees
Energy at 0K	-177.695678
Energy at 298.15K
HF Energy	-177.695678
Nuclear repulsion energy	67.101982

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'	3193	3193	1.20	43.41	0.70	0.82
2	A'	3119	3119	5.99	146.23	0.19	0.32
3	A'	3097	3097	1.86	51.96	0.12	0.21
4	A'	1654	1654	110.53	38.91	0.02	0.05
5	A'	1359	1359	4.58	5.01	0.26	0.42
6	A'	1287	1287	1.63	15.55	0.38	0.55
7	A'	1129	1129	100.63	2.68	0.22	0.35
8	A'	905	905	40.05	5.07	0.30	0.47
9	A'	470	470	3.38	1.42	0.53	0.69
10	A"	924	924	34.82	0.75	0.75	0.86
11	A"	842	842	45.44	3.04	0.75	0.86
12	A"	706	706	5.52	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	1.193	-0.143
F3	-1.151	-0.281
H4	-0.195	1.510
H5	1.306	-1.226
H6	2.084	0.482

	C1	C2	F3	H4	H5	H6
C1		1.3265	1.3558	1.0911	2.1135	2.0844
C2	1.3265		2.3482	2.1583	1.0887	1.0876
F3	1.3558	2.3482		2.0297	2.6319	3.3232
H4	1.0911	2.1583	2.0297		3.1200	2.4999
H5	2.1135	1.0887	2.6319	3.1200		1.8763
H6	2.0844	1.0876	3.3232	2.4999	1.8763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.805	C1	C2	H6	119.074
C2	C1	F3	122.189	C2	C1	H4	126.170
F3	C1	H4	111.640	H5	C2	H6	119.121

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

using model chemistry: PBEPBE/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	0.104
2	C	-1.257
3	F	-0.733
4	H	0.947
5	H	0.573
6	H	0.366

	x	y	z	Total
	1.082	0.738	0.000	1.309
CHELPG
AIM
ESP

	x	y	z
x	5.421	-0.415	0.000
y	-0.415	4.246	0.000
z	0.000	0.000	3.425

<r²>	43.545
(<r²>)^1/2	6.599

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

using model chemistry: PBEPBE/daug-cc-pVTZ

States and conformations

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