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	hartrees
Energy at 0K	-637.092249
Energy at 298.15K	-637.094232
HF Energy	-637.092249
Nuclear repulsion energy	139.175711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3124	8.69
2	A'	3137	3105	7.97
3	A'	1656	1638	21.18
4	A'	1283	1269	0.27
5	A'	1208	1195	1.99
6	A'	1119	1107	173.86
7	A'	853	844	62.61
8	A'	438	433	1.68
9	A'	263	260	5.15
10	A"	880	871	69.04
11	A"	750	742	11.93
12	A"	263	260	0.68

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.031	-0.372
Cl3	-1.645	-0.087
F4	2.300	0.085
H5	0.120	1.558
H6	0.961	-1.462

	C1	C2	Cl3	F4	H5	H6
C1		1.3342	1.7386	2.3330	1.0897	2.1628
C2	1.3342		2.6907	1.3494	2.1343	1.0923
Cl3	1.7386	2.6907		3.9489	2.4134	2.9465
F4	2.3330	1.3494	3.9489		2.6311	2.0462
H5	1.0897	2.1343	2.4134	2.6311		3.1354
H6	2.1628	1.0923	2.9465	2.0462	3.1354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.770	C1	C2	H6	125.782
C2	C1	Cl3	121.686	C2	C1	H5	123.095
Cl3	C1	H5	115.219	F4	C2	H6	113.448

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

using model chemistry: PBEPBE/6-311G*

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	-0.381
2	C	0.087
3	Cl	-0.023
4	F	-0.174
5	H	0.271
6	H	0.221

	x	y	z	Total
	0.265	-0.181	0.000	0.321
CHELPG
AIM
ESP

	x	y	z
x	7.605	-0.242	0.000
y	-0.242	4.320	0.000
z	0.000	0.000	2.388

<r²>	126.643
(<r²>)^1/2	11.254