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	hartrees
Energy at 0K	-637.199919
Energy at 298.15K	-637.202026
HF Energy	-637.199919
Nuclear repulsion energy	140.807234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3114	8.62
2	A'	3227	3101	6.34
3	A'	1727	1660	27.87
4	A'	1324	1273	0.31
5	A'	1238	1190	0.70
6	A'	1172	1126	190.97
7	A'	897	862	52.95
8	A'	458	440	1.57
9	A'	271	260	5.63
10	A"	932	896	57.25
11	A"	830	797	11.13
12	A"	278	267	1.16

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.017	-0.366
Cl3	-1.625	-0.088
F4	2.273	0.082
H5	0.126	1.547
H6	0.937	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3197	1.7192	2.3063	1.0800	2.1366
C2	1.3197		2.6562	1.3331	2.1110	1.0820
Cl3	1.7192	2.6562		3.9008	2.3953	2.8991
F4	2.3063	1.3331	3.9008		2.5994	2.0287
H5	1.0800	2.1110	2.3953	2.5994		3.1007
H6	2.1366	1.0820	2.8991	2.0287	3.1007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.769	C1	C2	H6	125.356
C2	C1	Cl3	121.309	C2	C1	H5	122.902
Cl3	C1	H5	115.789	F4	C2	H6	113.875

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: HSEh1PBE/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	-0.130
2	C	0.111
3	Cl	-0.084
4	F	-0.159
5	H	0.150
6	H	0.112

	x	y	z	Total
	0.125	-0.136	0.000	0.185
CHELPG
AIM
ESP

	x	y	z
x	7.622	-0.336	0.000
y	-0.336	4.790	0.000
z	0.000	0.000	3.234

<r²>	123.826
(<r²>)^1/2	11.128