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	hartrees
Energy at 0K	-637.050381
Energy at 298.15K	-637.052545
HF Energy	-637.050381
Nuclear repulsion energy	143.868555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3152	7.72
2	A'	3130	3111	3.74
3	A'	1678	1668	61.00
4	A'	1295	1288	22.95
5	A'	1211	1204	39.90
6	A'	1049	1043	74.60
7	A'	791	787	19.23
8	A'	645	641	21.32
9	A'	185	184	0.96
10	A"	831	826	0.38
11	A"	717	713	39.01
12	A"	443	440	7.12

Atom	x (Å)	y (Å)
C1	0.000	0.875
C2	1.260	0.415
Cl3	-1.392	-0.162
F4	1.574	-0.891
H5	-0.206	1.953
H6	2.133	1.086

	C1	C2	Cl3	F4	H5	H6
C1		1.3417	1.7358	2.3658	1.0975	2.1435
C2	1.3417		2.7140	1.3428	2.1251	1.1012
Cl3	1.7358	2.7140		3.0542	2.4250	3.7393
F4	2.3658	1.3428	3.0542		3.3551	2.0544
H5	1.0975	2.1251	2.4250	3.3551		2.4944
H6	2.1435	1.1012	3.7393	2.0544	2.4944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.596	C1	C2	H6	122.361
C2	C1	Cl3	123.232	C2	C1	H5	120.880
Cl3	C1	H5	115.888	F4	C2	H6	114.043

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.155
2	C	0.212
3	Cl	-0.037
4	F	-0.118
5	H	0.067
6	H	0.032

	x	y	z	Total
	0.916	1.671	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	7.100	0.472	0.000
y	0.472	4.557	0.000
z	0.000	0.000	2.303

<r²>	105.245
(<r²>)^1/2	10.259