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	hartrees
Energy at 0K	-634.360240
Energy at 298.15K	-634.362303
HF Energy	-634.360240
Nuclear repulsion energy	138.664763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3149	7.43
2	A'	3230	3120	4.27
3	A'	1700	1642	15.66
4	A'	1364	1317	1.59
5	A'	1266	1223	3.85
6	A'	1146	1107	101.41
7	A'	846	817	49.41
8	A'	439	424	1.62
9	A'	268	259	5.84
10	A"	968	935	74.00
11	A"	838	810	25.40
12	A"	274	265	1.47

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.016	-0.370
Cl3	-1.648	-0.080
F4	2.321	0.061
H5	0.125	1.561
H6	0.901	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3292	1.7430	2.3604	1.0805	2.1340
C2	1.3292		2.6793	1.3750	2.1261	1.0828
Cl3	1.7430	2.6793		3.9719	2.4161	2.8923
F4	2.3604	1.3750	3.9719		2.6595	2.0711
H5	1.0805	2.1261	2.4161	2.6595		3.1060
H6	2.1340	1.0828	2.8923	2.0711	3.1060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.570	C1	C2	H6	124.112
C2	C1	Cl3	120.813	C2	C1	H5	123.512
Cl3	C1	H5	115.675	F4	C2	H6	114.318

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

using model chemistry: TPSSh/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	-0.415
2	C	0.125
3	Cl	0.029
4	F	-0.261
5	H	0.279
6	H	0.243

	x	y	z	Total
	0.240	-0.152	0.000	0.284
CHELPG
AIM
ESP

	x	y	z
x	6.859	-0.303	0.000
y	-0.303	3.828	0.000
z	0.000	0.000	1.687

<r²>	127.210
(<r²>)^1/2	11.279