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	hartrees
Energy at 0K	-637.529753
Energy at 298.15K	-637.531991
HF Energy	-637.529753
Nuclear repulsion energy	145.053966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3119	6.25
2	A'	3200	3089	5.20
3	A'	1699	1640	63.49
4	A'	1350	1303	22.70
5	A'	1249	1205	36.32
6	A'	1067	1030	93.31
7	A'	806	778	18.54
8	A'	655	632	24.00
9	A'	191	184	1.25
10	A"	881	850	0.45
11	A"	752	726	46.08
12	A"	455	440	6.43

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.249	0.424
Cl3	-1.381	-0.167
F4	1.564	-0.877
H5	-0.210	1.924
H6	2.112	1.076

	C1	C2	Cl3	F4	H5	H6
C1		1.3249	1.7245	2.3419	1.0791	2.1225
C2	1.3249		2.6951	1.3386	2.0929	1.0820
Cl3	1.7245	2.6951		3.0289	2.3970	3.7074
F4	2.3419	1.3386	3.0289		3.3160	2.0288
H5	1.0791	2.0929	2.3970	3.3160		2.4722
H6	2.1225	1.0820	3.7074	2.0288	2.4722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.114	C1	C2	H6	123.419
C2	C1	Cl3	123.688	C2	C1	H5	120.724
Cl3	C1	H5	115.588	F4	C2	H6	113.467

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.223
2	C	0.024
3	Cl	-0.156
4	F	-0.322
5	H	0.305
6	H	0.371

	x	y	z	Total
	0.845	1.933	0.000	2.109
CHELPG
AIM
ESP

	x	y	z
x	8.280	0.311	0.000
y	0.311	5.795	0.000
z	0.000	0.000	4.479

<r²>	104.100
(<r²>)^1/2	10.203