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	hartrees
Energy at 0K	-636.950525
Energy at 298.15K	-636.952725
HF Energy	-636.833060
Nuclear repulsion energy	141.451989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3318	6.45
2	A'	3278	3278	3.61
3	A'	1727	1727	31.61
4	A'	1376	1376	19.93
5	A'	1266	1266	10.51
6	A'	1040	1040	76.25
7	A'	764	764	13.33
8	A'	618	618	26.72
9	A'	194	194	1.80
10	A"	928	928	0.78
11	A"	776	776	55.42
12	A"	444	444	9.11

Atom	x (Å)	y (Å)
C1	0.000	0.906
C2	1.262	0.488
Cl3	-1.407	-0.221
F4	1.611	-0.856
H5	-0.268	1.951
H6	2.121	1.145

	C1	C2	Cl3	F4	H5	H6
C1		1.3300	1.8026	2.3874	1.0786	2.1342
C2	1.3300		2.7621	1.3885	2.1171	1.0811
Cl3	1.8026	2.7621		3.0839	2.4523	3.7831
F4	2.3874	1.3885	3.0839		3.3776	2.0656
H5	1.0786	2.1171	2.4523	3.3776		2.5207
H6	2.1342	1.0811	3.7831	2.0656	2.5207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.844	C1	C2	H6	124.219
C2	C1	Cl3	122.990	C2	C1	H5	122.702
Cl3	C1	H5	114.307	F4	C2	H6	112.936

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	-0.389
2	C	0.250
3	Cl	0.068
4	F	-0.314
5	H	0.205
6	H	0.180

	x	y	z	Total
	1.059	2.697	0.000	2.898
CHELPG
AIM
ESP

	x	y	z
x	6.601	0.563	0.000
y	0.563	4.202	0.000
z	0.000	0.000	1.634

<r²>	108.147
(<r²>)^1/2	10.399