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	hartrees
Energy at 0K	-637.165942
Energy at 298.15K	-637.168214
HF Energy	-637.165942
Nuclear repulsion energy	145.451111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3131	9.98
2	A'	3229	3098	3.89
3	A'	1749	1679	65.63
4	A'	1369	1314	26.20
5	A'	1274	1222	38.29
6	A'	1099	1055	103.07
7	A'	826	793	19.95
8	A'	671	644	24.09
9	A'	198	190	1.35
10	A"	894	858	0.02
11	A"	758	727	53.96
12	A"	466	447	11.39

Atom	x (Å)	y (Å)
C1	0.000	0.862
C2	1.245	0.417
Cl3	-1.379	-0.166
F4	1.564	-0.872
H5	-0.211	1.922
H6	2.106	1.075

	C1	C2	Cl3	F4	H5	H6
C1		1.3227	1.7202	2.3355	1.0808	2.1171
C2	1.3227		2.6882	1.3278	2.0948	1.0840
Cl3	1.7202	2.6882		3.0263	2.3928	3.6998
F4	2.3355	1.3278	3.0263		3.3106	2.0217
H5	1.0808	2.0948	2.3928	3.3106		2.4675
H6	2.1171	1.0840	3.6998	2.0217	2.4675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.568	C1	C2	H6	122.906
C2	C1	Cl3	123.594	C2	C1	H5	120.955
Cl3	C1	H5	115.451	F4	C2	H6	113.526

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.408
2	C	0.102
3	Cl	-0.015
4	F	-0.188
5	H	0.278
6	H	0.231

	x	y	z	Total
	1.064	2.013	0.000	2.277
CHELPG
AIM
ESP

	x	y	z
x	6.981	0.506	0.000
y	0.506	4.360	0.000
z	0.000	0.000	2.356

<r²>	103.767
(<r²>)^1/2	10.187