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	hartrees
Energy at 0K	-637.104691
Energy at 298.15K	-637.106753
HF Energy	-636.914850
Nuclear repulsion energy	139.533039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3131	0.91
2	A'	3282	3125	14.06
3	A'	1711	1630	21.80
4	A'	1333	1270	0.23
5	A'	1263	1203	4.60
6	A'	1132	1079	191.13
7	A'	887	845	60.54
8	A'	449	428	1.60
9	A'	273	260	6.58
10	A"	921	877	71.13
11	A"	801	763	7.08
12	A"	270	258	1.38

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.023	-0.376
Cl3	-1.639	-0.091
F4	2.293	0.096
H5	0.127	1.547
H6	0.967	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3297	1.7338	2.3243	1.0801	2.1579
C2	1.3297		2.6771	1.3554	2.1210	1.0807
Cl3	1.7338	2.6771		3.9370	2.4083	2.9417
F4	2.3243	1.3554	3.9370		2.6077	2.0406
H5	1.0801	2.1210	2.4083	2.6077		3.1171
H6	2.1579	1.0807	2.9417	2.0406	3.1171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.914	C1	C2	H6	126.777
C2	C1	Cl3	121.257	C2	C1	H5	122.995
Cl3	C1	H5	115.748	F4	C2	H6	113.309

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

using model chemistry: B2PLYP/6-31+G**

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	-0.203
2	C	0.126
3	Cl	0.019
4	F	-0.304
5	H	0.196
6	H	0.167

	x	y	z	Total
	-0.118	-0.212	0.000	0.243
CHELPG
AIM
ESP

	x	y	z
x	7.623	-0.378	0.000
y	-0.378	4.738	0.000
z	0.000	0.000	3.449

<r²>	126.265
(<r²>)^1/2	11.237