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	hartrees
Energy at 0K	-637.029436
Energy at 298.15K	-637.031482
HF Energy	-637.029436
Nuclear repulsion energy	137.390036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3178	8.24
2	A'	3300	3157	2.68
3	A'	1748	1672	13.51
4	A'	1342	1284	0.64
5	A'	1257	1203	2.86
6	A'	1124	1075	119.45
7	A'	841	804	54.42
8	A'	433	414	1.95
9	A'	266	254	8.35
10	A"	960	918	84.76
11	A"	851	814	20.97
12	A"	269	258	3.43

Atom	x (Å)	y (Å)
C1	0.000	0.483
C2	1.049	-0.326
Cl3	-1.665	-0.171
F4	2.324	0.201
H5	0.058	1.560
H6	1.032	-1.407

	C1	C2	Cl3	F4	H5	H6
C1		1.3243	1.7882	2.3411	1.0791	2.1533
C2	1.3243		2.7176	1.3804	2.1307	1.0808
Cl3	1.7882	2.7176		4.0061	2.4420	2.9670
F4	2.3411	1.3804	4.0061		2.6424	2.0625
H5	1.0791	2.1307	2.4420	2.6424		3.1230
H6	2.1533	1.0808	2.9670	2.0625	3.1230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.888	C1	C2	H6	126.802
C2	C1	Cl3	120.921	C2	C1	H5	124.568
Cl3	C1	H5	114.512	F4	C2	H6	113.310

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

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	-0.429
2	C	0.217
3	Cl	0.078
4	F	-0.313
5	H	0.239
6	H	0.207

	x	y	z	Total
	0.110	-0.173	0.000	0.205
CHELPG
AIM
ESP

	x	y	z
x	7.028	-0.074	0.000
y	-0.074	3.746	0.000
z	0.000	0.000	1.660

<r²>	129.635
(<r²>)^1/2	11.386