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	hartrees
Energy at 0K	-637.358398
Energy at 298.15K	-637.360588
HF Energy	-637.358398
Nuclear repulsion energy	141.729328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3177	6.76
2	A'	3259	3135	3.04
3	A'	1723	1658	35.55
4	A'	1365	1313	20.43
5	A'	1258	1211	12.42
6	A'	1043	1003	79.47
7	A'	764	735	16.43
8	A'	620	597	28.19
9	A'	189	181	1.57
10	A"	919	884	0.62
11	A"	773	744	62.98
12	A"	444	428	8.76

Atom	x (Å)	y (Å)
C1	0.000	0.903
C2	1.261	0.481
Cl3	-1.405	-0.216
F4	1.608	-0.859
H5	-0.269	1.948
H6	2.120	1.139

	C1	C2	Cl3	F4	H5	H6
C1		1.3295	1.7962	2.3851	1.0790	2.1326
C2	1.3295		2.7557	1.3842	2.1190	1.0815
Cl3	1.7962	2.7557		3.0810	2.4441	3.7761
F4	2.3851	1.3842	3.0810		3.3762	2.0619
H5	1.0790	2.1190	2.4441	3.3762		2.5215
H6	2.1326	1.0815	3.7761	2.0619	2.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.014	C1	C2	H6	124.064
C2	C1	Cl3	122.985	C2	C1	H5	122.905
Cl3	C1	H5	114.110	F4	C2	H6	112.922

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: TPSSh/6-31G

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	-0.425
2	C	0.223
3	Cl	0.078
4	F	-0.293
5	H	0.222
6	H	0.194

	x	y	z	Total
	1.102	2.578	0.000	2.804
CHELPG
AIM
ESP

	x	y	z
x	6.729	0.551	0.000
y	0.551	4.244	0.000
z	0.000	0.000	1.677

<r²>	107.638
(<r²>)^1/2	10.375