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	hartrees
Energy at 0K	-37.216591
Energy at 298.15K
HF Energy	-37.216591
Nuclear repulsion energy	36.536848

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'	3285	3181	20.39	38.33	0.58	0.74
2	A'	3232	3130	9.07	118.82	0.36	0.53
3	A'	3178	3078	0.31	71.84	0.23	0.38
4	A'	1693	1640	79.65	23.90	0.12	0.22
5	A'	1401	1357	3.05	11.08	0.57	0.73
6	A'	1290	1249	0.17	13.27	0.57	0.73
7	A'	1105	1070	86.05	4.17	0.26	0.41
8	A'	885	857	41.87	6.61	0.39	0.56
9	A'	451	436	4.13	3.96	0.68	0.81
10	A"	943	913	127.33	0.28	0.75	0.86
11	A"	900	872	24.88	12.13	0.75	0.86
12	A"	684	663	4.88	5.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.464
C2	1.227	-0.124
F3	-1.176	-0.318
H4	-0.238	1.530
H5	1.340	-1.211
H6	2.121	0.505

	C1	C2	F3	H4	H5	H6
C1		1.3604	1.4120	1.0923	2.1446	2.1212
C2	1.3604		2.4104	2.2092	1.0925	1.0936
F3	1.4120	2.4104		2.0725	2.6694	3.3980
H4	1.0923	2.2092	2.0725		3.1622	2.5712
H5	2.1446	1.0925	2.6694	3.1622		1.8858
H6	2.1212	1.0936	3.3980	2.5712	1.8858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.548	C1	C2	H6	119.222
C2	C1	F3	120.770	C2	C1	H4	128.175
F3	C1	H4	111.055	H5	C2	H6	119.229

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

using model chemistry: B3LYP/CEP-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	-0.042
2	C	-0.364
3	F	-0.221
4	H	0.230
5	H	0.216
6	H	0.181

	x	y	z	Total
	1.853	1.203	0.000	2.209
CHELPG
AIM
ESP

	x	y	z
x	4.716	-0.642	0.000
y	-0.642	2.888	0.000
z	0.000	0.000	1.612

<r²>	38.548
(<r²>)^1/2	6.209

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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