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	hartrees
Energy at 0K	-637.432705
Energy at 298.15K	-637.434945
HF Energy	-637.432705
Nuclear repulsion energy	145.284489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3136	8.29
2	A'	3203	3091	3.74
3	A'	1719	1659	58.02
4	A'	1359	1311	23.72
5	A'	1264	1220	37.44
6	A'	1087	1049	70.74
7	A'	813	784	17.68
8	A'	660	637	22.54
9	A'	190	183	1.10
10	A"	882	851	0.33
11	A"	762	735	35.64
12	A"	457	441	6.54

Atom	x (Å)	y (Å)
C1	0.000	0.872
C2	1.248	0.419
Cl3	-1.376	-0.170
F4	1.556	-0.874
H5	-0.216	1.931
H6	2.115	1.072

	C1	C2	Cl3	F4	H5	H6
C1		1.3283	1.7264	2.3392	1.0806	2.1240
C2	1.3283		2.6898	1.3289	2.1050	1.0848
Cl3	1.7264	2.6898		3.0159	2.4003	3.7051
F4	2.3392	1.3289	3.0159		3.3180	2.0244
H5	1.0806	2.1050	2.4003	3.3180		2.4837
H6	2.1240	1.0848	3.7051	2.0244	2.4837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.366	C1	C2	H6	123.012
C2	C1	Cl3	122.893	C2	C1	H5	121.485
Cl3	C1	H5	115.622	F4	C2	H6	113.622

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

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.212
2	C	0.063
3	Cl	-0.099
4	F	-0.082
5	H	0.178
6	H	0.152

	x	y	z	Total
	1.097	1.829	0.000	2.132
CHELPG
AIM
ESP

	x	y	z
x	7.282	0.346	0.000
y	0.346	4.789	0.000
z	0.000	0.000	2.968

<r²>	103.249
(<r²>)^1/2	10.161