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	hartrees
Energy at 0K	-637.193879
Energy at 298.15K	-637.196170
HF Energy	-637.193879
Nuclear repulsion energy	146.036306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3247	6.13
2	A'	3216	3216	6.61
3	A'	1733	1733	66.88
4	A'	1358	1358	21.91
5	A'	1266	1266	43.61
6	A'	1094	1094	87.49
7	A'	831	831	17.97
8	A'	676	676	21.51
9	A'	198	198	1.33
10	A"	910	910	0.25
11	A"	762	762	46.04
12	A"	468	468	7.10

Atom	x (Å)	y (Å)
C1	0.000	0.857
C2	1.243	0.410
Cl3	-1.373	-0.158
F4	1.553	-0.878
H5	-0.195	1.918
H6	2.105	1.066

	C1	C2	Cl3	F4	H5	H6
C1		1.3209	1.7072	2.3279	1.0794	2.1152
C2	1.3209		2.6774	1.3251	2.0839	1.0822
Cl3	1.7072	2.6774		3.0130	2.3869	3.6868
F4	2.3279	1.3251	3.0130		3.2975	2.0205
H5	1.0794	2.0839	2.3869	3.2975		2.4531
H6	2.1152	1.0822	3.6868	2.0205	2.4531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.232	C1	C2	H6	123.016
C2	C1	Cl3	123.806	C2	C1	H5	120.159
Cl3	C1	H5	116.035	F4	C2	H6	113.752

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.355
2	C	0.578
3	Cl	-0.165
4	F	-0.335
5	H	0.133
6	H	0.143

	x	y	z	Total
	0.831	1.902	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	8.038	0.279	0.000
y	0.279	5.561	0.000
z	0.000	0.000	4.352

<r²>	103.070
(<r²>)^1/2	10.152