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	hartrees
Energy at 0K	-637.164219
Energy at 298.15K	-637.166307
HF Energy	-637.164219
Nuclear repulsion energy	140.430466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3119	8.13
2	A'	3238	3107	7.80
3	A'	1738	1668	27.60
4	A'	1331	1277	0.07
5	A'	1253	1202	1.47
6	A'	1173	1126	193.01
7	A'	893	857	62.63
8	A'	456	438	1.91
9	A'	273	262	5.87
10	A"	932	894	68.49
11	A"	810	777	15.94
12	A"	276	265	1.11

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.024	-0.364
Cl3	-1.631	-0.092
F4	2.278	0.090
H5	0.118	1.548
H6	0.955	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3219	1.7256	2.3102	1.0817	2.1424
C2	1.3219		2.6685	1.3339	2.1152	1.0838
Cl3	1.7256	2.6685		3.9132	2.3971	2.9185
F4	2.3102	1.3339	3.9132		2.6061	2.0269
H5	1.0817	2.1152	2.3971	2.6061		3.1078
H6	2.1424	1.0838	2.9185	2.0269	3.1078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.882	C1	C2	H6	125.587
C2	C1	Cl3	121.678	C2	C1	H5	122.971
Cl3	C1	H5	115.350	F4	C2	H6	113.531

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	-0.395
2	C	0.103
3	Cl	-0.031
4	F	-0.201
5	H	0.287
6	H	0.237

	x	y	z	Total
	0.233	-0.208	0.000	0.312
CHELPG
AIM
ESP

	x	y	z
x	7.226	-0.282	0.000
y	-0.282	4.176	0.000
z	0.000	0.000	2.347

<r²>	124.726
(<r²>)^1/2	11.168