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	hartrees
Energy at 0K	-637.412140
Energy at 298.15K	-637.414374
HF Energy	-637.412140
Nuclear repulsion energy	144.590824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3133	9.27
2	A'	3223	3095	3.86
3	A'	1740	1671	58.04
4	A'	1378	1323	26.43
5	A'	1276	1225	30.70
6	A'	1097	1053	84.94
7	A'	811	778	17.51
8	A'	656	630	24.79
9	A'	197	189	1.22
10	A"	886	851	0.02
11	A"	758	728	39.20
12	A"	455	437	7.80

Atom	x (Å)	y (Å)
C1	0.000	0.873
C2	1.252	0.427
Cl3	-1.385	-0.175
F4	1.571	-0.871
H5	-0.218	1.933
H6	2.114	1.087

	C1	C2	Cl3	F4	H5	H6
C1		1.3285	1.7365	2.3472	1.0822	2.1245
C2	1.3285		2.7044	1.3371	2.1037	1.0856
Cl3	1.7365	2.7044		3.0370	2.4093	3.7192
F4	2.3472	1.3371	3.0370		3.3260	2.0318
H5	1.0822	2.1037	2.4093	3.3260		2.4802
H6	2.1245	1.0856	3.7192	2.0318	2.4802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.423	C1	C2	H6	122.986
C2	C1	Cl3	123.305	C2	C1	H5	121.199
Cl3	C1	H5	115.496	F4	C2	H6	113.591

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

using model chemistry: B3LYP/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	-0.313
2	C	0.202
3	Cl	0.001
4	F	-0.245
5	H	0.197
6	H	0.159

	x	y	z	Total
	1.086	1.940	0.000	2.223
CHELPG
AIM
ESP

	x	y	z
x	6.829	0.401	0.000
y	0.401	4.326	0.000
z	0.000	0.000	2.192

<r²>	104.311
(<r²>)^1/2	10.213