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	hartrees
Energy at 0K	-637.512803
Energy at 298.15K	-637.514855
HF Energy	-637.512803
Nuclear repulsion energy	139.621331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3116	6.90
2	A'	3220	3104	5.99
3	A'	1692	1630	21.54
4	A'	1330	1282	0.71
5	A'	1244	1199	1.98
6	A'	1129	1088	194.92
7	A'	866	834	64.54
8	A'	445	429	1.57
9	A'	267	257	6.34
10	A"	928	895	65.02
11	A"	793	764	8.64
12	A"	270	260	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	1.027	-0.357
Cl3	-1.638	-0.112
F4	2.290	0.118
H5	0.102	1.554
H6	0.977	-1.437

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7415	2.3179	1.0802	2.1505
C2	1.3242		2.6769	1.3483	2.1231	1.0818
Cl3	1.7415	2.6769		3.9346	2.4092	2.9315
F4	2.3179	1.3483	3.9346		2.6172	2.0351
H5	1.0802	2.1231	2.4092	2.6172		3.1166
H6	2.1505	1.0818	2.9315	2.0351	3.1166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.296	C1	C2	H6	126.419
C2	C1	Cl3	121.058	C2	C1	H5	123.700
Cl3	C1	H5	115.241	F4	C2	H6	113.286

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

using model chemistry: TPSSh/TZVP

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	-0.119
2	C	0.083
3	Cl	-0.086
4	F	-0.180
5	H	0.184
6	H	0.118

	x	y	z	Total
	0.014	-0.179	0.000	0.180
CHELPG
AIM
ESP

	x	y	z
x	7.529	-0.294	0.000
y	-0.294	4.522	0.000
z	0.000	0.000	3.092

<r²>	125.801
(<r²>)^1/2	11.216