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	hartrees
Energy at 0K	-637.168074
Energy at 298.15K	-637.170172
HF Energy	-637.168074
Nuclear repulsion energy	140.454155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3121	8.86
2	A'	3233	3105	6.29
3	A'	1732	1664	26.58
4	A'	1322	1269	0.11
5	A'	1239	1190	0.72
6	A'	1172	1125	193.31
7	A'	892	857	62.41
8	A'	456	438	1.88
9	A'	272	261	5.88
10	A"	935	898	66.74
11	A"	819	787	16.56
12	A"	277	266	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.024	-0.364
Cl3	-1.630	-0.095
F4	2.277	0.095
H5	0.117	1.547
H6	0.953	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3219	1.7256	2.3082	1.0811	2.1409
C2	1.3219		2.6675	1.3345	2.1151	1.0835
Cl3	1.7256	2.6675		3.9116	2.3970	2.9144
F4	2.3082	1.3345	3.9116		2.6029	2.0310
H5	1.0811	2.1151	2.3970	2.6029		3.1065
H6	2.1409	1.0835	2.9144	2.0310	3.1065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.664	C1	C2	H6	125.462
C2	C1	Cl3	121.596	C2	C1	H5	123.023
Cl3	C1	H5	115.382	F4	C2	H6	113.874

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

using model chemistry: HSEh1PBE/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	-0.291
2	C	0.195
3	Cl	-0.037
4	F	-0.199
5	H	0.193
6	H	0.139

	x	y	z	Total
	0.228	-0.209	0.000	0.309
CHELPG
AIM
ESP

	x	y	z
x	7.244	-0.289	0.000
y	-0.289	4.217	0.000
z	0.000	0.000	2.388

<r²>	124.635
(<r²>)^1/2	11.164