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	hartrees
Energy at 0K	-634.362719
Energy at 298.15K	-634.364980
HF Energy	-634.362719
Nuclear repulsion energy	144.152073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3154	8.65
2	A'	3220	3109	2.76
3	A'	1715	1656	38.89
4	A'	1402	1354	13.32
5	A'	1288	1243	12.48
6	A'	1080	1043	63.05
7	A'	797	769	14.64
8	A'	655	633	25.42
9	A'	191	184	1.34
10	A"	947	915	0.05
11	A"	780	753	61.44
12	A"	467	451	9.86

Atom	x (Å)	y (Å)
C1	0.000	0.895
C2	1.245	0.432
Cl3	-1.374	-0.170
F4	1.555	-0.902
H5	-0.218	1.953
H6	2.107	1.089

	C1	C2	Cl3	F4	H5	H6
C1		1.3281	1.7382	2.3763	1.0803	2.1155
C2	1.3281		2.6871	1.3699	2.1101	1.0830
Cl3	1.7382	2.6871		3.0188	2.4173	3.7010
F4	2.3763	1.3699	3.0188		3.3607	2.0656
H5	1.0803	2.1101	2.4173	3.3607		2.4800
H6	2.1155	1.0830	3.7010	2.0656	2.4800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.459	C1	C2	H6	122.327
C2	C1	Cl3	121.833	C2	C1	H5	122.018
Cl3	C1	H5	116.149	F4	C2	H6	114.215

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

using model chemistry: TPSSh/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	-0.428
2	C	0.130
3	Cl	0.041
4	F	-0.252
5	H	0.270
6	H	0.240

	x	y	z	Total
	1.112	2.064	0.000	2.345
CHELPG
AIM
ESP

	x	y	z
x	6.519	0.392	0.000
y	0.392	4.135	0.000
z	0.000	0.000	1.696

<r²>	104.159
(<r²>)^1/2	10.206