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	hartrees
Energy at 0K	-637.491517
Energy at 298.15K	-637.493755
HF Energy	-637.491517
Nuclear repulsion energy	144.594163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3130	10.32
2	A'	3204	3096	3.73
3	A'	1721	1663	61.44
4	A'	1363	1317	25.27
5	A'	1265	1222	30.93
6	A'	1078	1041	108.84
7	A'	803	776	17.71
8	A'	652	630	27.84
9	A'	197	191	1.40
10	A"	885	855	0.02
11	A"	751	726	51.77
12	A"	459	443	10.89

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.249	0.429
Cl3	-1.388	-0.177
F4	1.579	-0.866
H5	-0.222	1.925
H6	2.108	1.090

	C1	C2	Cl3	F4	H5	H6
C1		1.3241	1.7373	2.3452	1.0802	2.1199
C2	1.3241		2.7058	1.3367	2.0982	1.0837
Cl3	1.7373	2.7058		3.0455	2.4038	3.7185
F4	2.3452	1.3367	3.0455		3.3218	2.0265
H5	1.0802	2.0982	2.4038	3.3218		2.4755
H6	2.1199	1.0837	3.7185	2.0265	2.4755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.625	C1	C2	H6	123.081
C2	C1	Cl3	123.662	C2	C1	H5	121.218
Cl3	C1	H5	115.120	F4	C2	H6	113.294

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

using model chemistry: B3LYP/6-311G*

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	-0.376
2	C	0.110
3	Cl	-0.023
4	F	-0.194
5	H	0.264
6	H	0.219

	x	y	z	Total
	1.050	2.063	0.000	2.315
CHELPG
AIM
ESP

	x	y	z
x	7.078	0.549	0.000
y	0.549	4.425	0.000
z	0.000	0.000	2.351

<r²>	104.925
(<r²>)^1/2	10.243