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	hartrees
Energy at 0K	-637.019104
Energy at 298.15K	-637.021275
HF Energy	-637.019104
Nuclear repulsion energy	144.130429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3142	8.73
2	A'	3140	3097	4.14
3	A'	1685	1661	57.28
4	A'	1323	1305	23.36
5	A'	1235	1218	34.02
6	A'	1069	1054	71.88
7	A'	796	786	18.84
8	A'	647	638	20.97
9	A'	189	187	0.95
10	A"	831	819	0.02
11	A"	724	714	41.85
12	A"	443	437	7.35

Atom	x (Å)	y (Å)
C1	0.000	0.874
C2	1.259	0.417
Cl3	-1.389	-0.164
F4	1.571	-0.888
H5	-0.209	1.944
H6	2.127	1.082

	C1	C2	Cl3	F4	H5	H6
C1		1.3392	1.7338	2.3612	1.0902	2.1375
C2	1.3392		2.7104	1.3421	2.1183	1.0941
Cl3	1.7338	2.7104		3.0475	2.4155	3.7304
F4	2.3612	1.3421	3.0475		3.3456	2.0474
H5	1.0902	2.1183	2.4155	3.3456		2.4906
H6	2.1375	1.0941	3.7304	2.0474	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.435	C1	C2	H6	122.593
C2	C1	Cl3	123.262	C2	C1	H5	121.029
Cl3	C1	H5	115.709	F4	C2	H6	113.972

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

using model chemistry: PBEPBE/6-31G**

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	-0.301
2	C	0.205
3	Cl	0.018
4	F	-0.213
5	H	0.166
6	H	0.125

	x	y	z	Total
	1.075	1.749	0.000	2.053
CHELPG
AIM
ESP

	x	y	z
x	7.030	0.416	0.000
y	0.416	4.487	0.000
z	0.000	0.000	2.252

<r²>	104.817
(<r²>)^1/2	10.238