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	hartrees
Energy at 0K	-633.923106
Energy at 298.15K	-633.925169
HF Energy	-633.923106
Nuclear repulsion energy	137.596645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3198	9.62
2	A'	3260	3141	1.48
3	A'	1750	1686	18.89
4	A'	1373	1322	1.41
5	A'	1239	1194	1.07
6	A'	1167	1124	103.62
7	A'	815	785	48.32
8	A'	433	417	2.19
9	A'	265	256	6.73
10	A"	983	947	69.24
11	A"	863	832	44.93
12	A"	274	264	2.17

Atom	x (Å)	y (Å)
C1	0.000	0.515
C2	1.046	-0.290
Cl3	-1.658	-0.195
F4	2.322	0.193
H5	0.036	1.592
H6	0.973	-1.369

	C1	C2	Cl3	F4	H5	H6
C1		1.3191	1.8032	2.3446	1.0775	2.1204
C2	1.3191		2.7051	1.3648	2.1349	1.0821
Cl3	1.8032	2.7051		3.9990	2.4616	2.8813
F4	2.3446	1.3648	3.9990		2.6804	2.0640
H5	1.0775	2.1349	2.4616	2.6804		3.1056
H6	2.1204	1.0821	2.8813	2.0640	3.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.744	C1	C2	H6	123.726
C2	C1	Cl3	119.273	C2	C1	H5	125.650
Cl3	C1	H5	115.078	F4	C2	H6	114.529

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

using model chemistry: HSEh1PBE/3-21G

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	-0.523
2	C	0.153
3	Cl	0.087
4	F	-0.267
5	H	0.296
6	H	0.254

	x	y	z	Total
	0.557	-0.034	0.000	0.558
CHELPG
AIM
ESP

	x	y	z
x	6.708	0.010	0.000
y	0.010	3.564	0.000
z	0.000	0.000	1.362

<r²>	129.096
(<r²>)^1/2	11.362