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	hartrees
Energy at 0K	-637.125948
Energy at 298.15K	-637.127951
HF Energy	-637.125948
Nuclear repulsion energy	139.569207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3128	8.51
2	A'	3132	3111	5.85
3	A'	1646	1634	21.73
4	A'	1276	1268	0.52
5	A'	1192	1184	1.09
6	A'	1117	1109	174.37
7	A'	858	852	52.85
8	A'	439	436	1.35
9	A'	260	258	5.00
10	A"	882	876	57.03
11	A"	772	767	7.60
12	A"	264	262	0.80

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.023	-0.375
Cl3	-1.638	-0.083
F4	2.294	0.077
H5	0.127	1.558
H6	0.943	-1.462

	C1	C2	Cl3	F4	H5	H6
C1		1.3319	1.7317	2.3288	1.0877	2.1568
C2	1.3319		2.6775	1.3488	2.1305	1.0901
Cl3	1.7317	2.6775		3.9357	2.4104	2.9266
F4	2.3288	1.3488	3.9357		2.6247	2.0479
H5	1.0877	2.1305	2.4104	2.6247		3.1283
H6	2.1568	1.0901	2.9266	2.0479	3.1283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.626	C1	C2	H6	125.585
C2	C1	Cl3	121.299	C2	C1	H5	123.092
Cl3	C1	H5	115.609	F4	C2	H6	113.789

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.117
2	C	0.102
3	Cl	-0.073
4	F	-0.139
5	H	0.132
6	H	0.095

	x	y	z	Total
	0.121	-0.116	0.000	0.168
CHELPG
AIM
ESP

	x	y	z
x	7.996	-0.309	0.000
y	-0.309	4.954	0.000
z	0.000	0.000	3.292

<r²>	125.714
(<r²>)^1/2	11.212