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	hartrees
Energy at 0K	-637.458486
Energy at 298.15K	-637.460632
HF Energy	-637.458486
Nuclear repulsion energy	143.037084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3152	7.17
2	A'	3124	3117	4.51
3	A'	1637	1633	57.66
4	A'	1313	1310	20.54
5	A'	1217	1214	27.70
6	A'	1018	1016	110.76
7	A'	764	762	16.77
8	A'	621	619	28.96
9	A'	192	191	1.24
10	A"	832	830	0.00
11	A"	718	716	53.37
12	A"	437	436	8.28

Atom	x (Å)	y (Å)
C1	0.000	0.875
C2	1.260	0.442
Cl3	-1.403	-0.182
F4	1.600	-0.872
H5	-0.226	1.937
H6	2.123	1.106

	C1	C2	Cl3	F4	H5	H6
C1		1.3328	1.7571	2.3690	1.0853	2.1358
C2	1.3328		2.7359	1.3573	2.1082	1.0886
Cl3	1.7571	2.7359		3.0810	2.4239	3.7545
F4	2.3690	1.3573	3.0810		3.3502	2.0462
H5	1.0853	2.1082	2.4239	3.3502		2.4923
H6	2.1358	1.0886	3.7545	2.0462	2.4923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.435	C1	C2	H6	123.462
C2	C1	Cl3	124.028	C2	C1	H5	121.006
Cl3	C1	H5	114.965	F4	C2	H6	113.102

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

using model chemistry: BLYP/TZVP

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	-0.162
2	C	0.084
3	Cl	-0.043
4	F	-0.172
5	H	0.178
6	H	0.116

	x	y	z	Total
	0.779	2.043	0.000	2.186
CHELPG
AIM
ESP

	x	y	z
x	7.562	0.413	0.000
y	0.413	4.951	0.000
z	0.000	0.000	3.199

<r²>	106.924
(<r²>)^1/2	10.340