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	hartrees
Energy at 0K	-637.437971
Energy at 298.15K	-637.440260
HF Energy	-637.437971
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3122	6.97
2	A'	3231	3086	5.36
3	A'	1751	1672	67.73
4	A'	1370	1308	25.11
5	A'	1279	1222	40.56
6	A'	1097	1047	109.82
7	A'	820	783	18.76
8	A'	665	635	26.35
9	A'	201	191	1.33
10	A"	923	882	0.46
11	A"	761	727	53.75
12	A"	466	445	8.98

Atom	x (Å)	y (Å)
C1	0.000	0.863
C2	1.245	0.429
Cl3	-1.384	-0.178
F4	1.575	-0.859
H5	-0.214	1.920
H6	2.099	1.095

	C1	C2	Cl3	F4	H5	H6
C1		1.3189	1.7319	2.3331	1.0789	2.1115
C2	1.3189		2.6986	1.3289	2.0866	1.0824
Cl3	1.7319	2.6986		3.0360	2.4027	3.7082
F4	2.3331	1.3289	3.0360		3.3048	2.0225
H5	1.0789	2.0866	2.4027	3.3048		2.4556
H6	2.1115	1.0824	3.7082	2.0225	2.4556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.559	C1	C2	H6	122.818
C2	C1	Cl3	123.836	C2	C1	H5	120.649
Cl3	C1	H5	115.515	F4	C2	H6	113.624

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

using model chemistry: wB97X-D/TZVP

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	-0.183
2	C	0.094
3	Cl	-0.057
4	F	-0.177
5	H	0.192
6	H	0.130

	x	y	z	Total
	0.959	2.134	0.000	2.340
CHELPG
AIM
ESP

	x	y	z
x	7.134	0.343	0.000
y	0.343	4.641	0.000
z	0.000	0.000	3.098

<r²>	104.180
(<r²>)^1/2	10.207