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	hartrees
Energy at 0K	-637.083638
Energy at 298.15K	-637.085891
HF Energy	-636.900886
Nuclear repulsion energy	144.881028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3129	8.87
2	A'	3263	3097	3.72
3	A'	1744	1656	54.81
4	A'	1394	1323	25.23
5	A'	1286	1221	27.39
6	A'	1104	1048	84.79
7	A'	825	783	17.75
8	A'	665	631	22.26
9	A'	199	189	1.32
10	A"	888	842	0.04
11	A"	767	728	39.81
12	A"	456	433	8.22

Atom	x (Å)	y (Å)
C1	0.000	0.873
C2	1.251	0.424
Cl3	-1.380	-0.169
F4	1.560	-0.879
H5	-0.212	1.933
H6	2.116	1.076

	C1	C2	Cl3	F4	H5	H6
C1		1.3292	1.7292	2.3464	1.0804	2.1255
C2	1.3292		2.6965	1.3392	2.1015	1.0831
Cl3	1.7292	2.6965		3.0243	2.4046	3.7105
F4	2.3464	1.3392	3.0243		3.3237	2.0323
H5	1.0804	2.1015	2.4046	3.3237		2.4803
H6	2.1255	1.0831	3.7105	2.0323	2.4803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.117	C1	C2	H6	123.230
C2	C1	Cl3	123.157	C2	C1	H5	121.063
Cl3	C1	H5	115.779	F4	C2	H6	113.654

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

using model chemistry: B2PLYP/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	-0.327
2	C	0.205
3	Cl	0.003
4	F	-0.261
5	H	0.208
6	H	0.171

	x	y	z	Total
	1.082	2.003	0.000	2.276
CHELPG
AIM
ESP

	x	y	z
x	6.685	0.373	0.000
y	0.373	4.284	0.000
z	0.000	0.000	2.169

<r²>	103.888
(<r²>)^1/2	10.193