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	hartrees
Energy at 0K	-637.093838
Energy at 298.15K	-637.095933
HF Energy	-637.093838
Nuclear repulsion energy	140.353059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3121	9.22
2	A'	3249	3101	5.77
3	A'	1752	1672	26.14
4	A'	1335	1274	0.05
5	A'	1247	1190	0.70
6	A'	1200	1145	173.28
7	A'	900	859	55.15
8	A'	458	437	1.69
9	A'	272	260	5.70
10	A"	940	897	52.45
11	A"	811	774	17.09
12	A"	279	266	1.44

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.023	-0.368
Cl3	-1.631	-0.088
F4	2.279	0.084
H5	0.124	1.550
H6	0.945	-1.450

	C1	C2	Cl3	F4	H5	H6
C1		1.3260	1.7250	2.3122	1.0827	2.1446
C2	1.3260		2.6687	1.3347	2.1190	1.0849
Cl3	1.7250	2.6687		3.9133	2.4009	2.9133
F4	2.3122	1.3347	3.9133		2.6061	2.0337
H5	1.0827	2.1190	2.4009	2.6061		3.1110
H6	2.1446	1.0849	2.9133	2.0337	3.1110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.684	C1	C2	H6	125.326
C2	C1	Cl3	121.460	C2	C1	H5	122.896
Cl3	C1	H5	115.644	F4	C2	H6	113.990

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

using model chemistry: HSEh1PBE/6-31G**

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	-0.315
2	C	0.232
3	Cl	0.008
4	F	-0.263
5	H	0.190
6	H	0.148

	x	y	z	Total
	0.345	-0.147	0.000	0.375
CHELPG
AIM
ESP

	x	y	z
x	6.948	-0.348	0.000
y	-0.348	4.159	0.000
z	0.000	0.000	2.224

<r²>	124.331
(<r²>)^1/2	11.150