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	hartrees
Energy at 0K	-637.179861
Energy at 298.15K	-637.181943
HF Energy	-636.976653
Nuclear repulsion energy	139.871435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3258	8.08
2	A'	3246	3246	6.34
3	A'	1707	1707	24.41
4	A'	1331	1331	0.35
5	A'	1251	1251	3.47
6	A'	1152	1152	178.57
7	A'	883	883	61.30
8	A'	451	451	1.94
9	A'	273	273	6.13
10	A"	933	933	65.59
11	A"	805	805	13.49
12	A"	273	273	1.42

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.028	-0.363
Cl3	-1.637	-0.101
F4	2.287	0.103
H5	0.116	1.548
H6	0.962	-1.442

	C1	C2	Cl3	F4	H5	H6
C1		1.3262	1.7352	2.3167	1.0792	2.1451
C2	1.3262		2.6777	1.3422	2.1175	1.0812
Cl3	1.7352	2.6777		3.9288	2.4062	2.9247
F4	2.3167	1.3422	3.9288		2.6079	2.0352
H5	1.0792	2.1175	2.4062	2.6079		3.1076
H6	2.1451	1.0812	2.9247	2.0352	3.1076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.500	C1	C2	H6	125.696
C2	C1	Cl3	121.432	C2	C1	H5	123.033
Cl3	C1	H5	115.535	F4	C2	H6	113.804

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

using model chemistry: B2PLYP/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	-0.259
2	C	0.209
3	Cl	-0.042
4	F	-0.212
5	H	0.176
6	H	0.128

	x	y	z	Total
	0.184	-0.211	0.000	0.280
CHELPG
AIM
ESP

	x	y	z
x	7.226	-0.251	0.000
y	-0.251	4.193	0.000
z	0.000	0.000	2.354

<r²>	125.698
(<r²>)^1/2	11.212