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	hartrees
Energy at 0K	-634.043463
Energy at 298.15K	-634.045777
HF Energy	-634.043463
Nuclear repulsion energy	144.988405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3158	8.54
2	A'	3247	3117	2.70
3	A'	1756	1686	39.70
4	A'	1414	1358	11.57
5	A'	1304	1252	14.38
6	A'	1105	1061	64.58
7	A'	818	785	14.62
8	A'	675	648	22.99
9	A'	197	189	1.48
10	A"	981	942	0.29
11	A"	794	762	61.72
12	A"	479	460	10.10

Atom	x (Å)	y (Å)
C1	0.000	0.886
C2	1.239	0.425
Cl3	-1.367	-0.165
F4	1.547	-0.900
H5	-0.209	1.946
H6	2.098	1.084

	C1	C2	Cl3	F4	H5	H6
C1		1.3225	1.7245	2.3625	1.0798	2.1070
C2	1.3225		2.6722	1.3592	2.1005	1.0826
Cl3	1.7245	2.6722		3.0051	2.4071	3.6831
F4	2.3625	1.3592	3.0051		3.3434	2.0587
H5	1.0798	2.1005	2.4071	3.3434		2.4626
H6	2.1070	1.0826	3.6831	2.0587	2.4626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.511	C1	C2	H6	122.025
C2	C1	Cl3	122.010	C2	C1	H5	121.619
Cl3	C1	H5	116.371	F4	C2	H6	114.464

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.445
2	C	0.135
3	Cl	0.050
4	F	-0.262
5	H	0.277
6	H	0.245

	x	y	z	Total
	1.080	2.097	0.000	2.358
CHELPG
AIM
ESP

	x	y	z
x	6.402	0.362	0.000
y	0.362	4.039	0.000
z	0.000	0.000	1.695

<r²>	103.258
(<r²>)^1/2	10.162