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	hartrees
Energy at 0K	-51.517102
Energy at 298.15K	-51.519078
HF Energy	-51.517102
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3296	9.38
2	A'	3280	3280	12.82
3	A'	1716	1716	12.60
4	A'	1307	1307	1.01
5	A'	1240	1240	2.64
6	A'	1085	1085	148.40
7	A'	845	845	59.50
8	A'	424	424	2.10
9	A'	257	257	10.24
10	A"	926	926	117.95
11	A"	808	808	8.25
12	A"	256	256	3.84

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	1.055	-0.354
Cl3	-1.681	-0.151
F4	2.347	0.175
H5	0.075	1.581
H6	1.039	-1.442

	C1	C2	Cl3	F4	H5	H6
C1		1.3556	1.8013	2.3691	1.0865	2.1998
C2	1.3556		2.7431	1.3960	2.1690	1.0876
Cl3	1.8013	2.7431		4.0407	2.4666	3.0105
F4	2.3691	1.3960	4.0407		2.6717	2.0790
H5	1.0865	2.1690	2.4666	2.6717		3.1727
H6	2.1998	1.0876	3.0105	2.0790	3.1727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	118.843	C1	C2	H6	128.072
C2	C1	Cl3	120.006	C2	C1	H5	124.918
Cl3	C1	H5	115.076	F4	C2	H6	113.086

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

using model chemistry: wB97X-D/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	-0.318
2	C	0.000
3	Cl	-0.033
4	F	-0.208
5	H	0.294
6	H	0.265

	x	y	z	Total
	-0.104	-0.300	0.000	0.317
CHELPG
AIM
ESP

	x	y	z
x	7.377	-0.092	0.000
y	-0.092	3.614	0.000
z	0.000	0.000	1.722

<r²>	89.177
(<r²>)^1/2	9.443