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	hartrees
Energy at 0K	-637.518080
Energy at 298.15K	-637.520329
HF Energy	-637.518080
Nuclear repulsion energy	145.318437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3227	6.11
2	A'	3198	3198	5.40
3	A'	1698	1698	63.49
4	A'	1355	1355	21.31
5	A'	1255	1255	36.43
6	A'	1071	1071	93.80
7	A'	813	813	17.75
8	A'	661	661	23.33
9	A'	192	192	1.28
10	A"	889	889	0.29
11	A"	757	757	46.34
12	A"	459	459	6.59

Atom	x (Å)	y (Å)
C1	0.000	0.863
C2	1.248	0.418
Cl3	-1.379	-0.161
F4	1.560	-0.881
H5	-0.203	1.923
H6	2.113	1.067

	C1	C2	Cl3	F4	H5	H6
C1		1.3252	1.7174	2.3399	1.0793	2.1231
C2	1.3252		2.6899	1.3358	2.0910	1.0819
Cl3	1.7174	2.6899		3.0257	2.3925	3.7018
F4	2.3399	1.3358	3.0257		3.3124	2.0257
H5	1.0793	2.0910	2.3925	3.3124		2.4695
H6	2.1231	1.0819	3.7018	2.0257	2.4695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.125	C1	C2	H6	123.465
C2	C1	Cl3	123.775	C2	C1	H5	120.489
Cl3	C1	H5	115.736	F4	C2	H6	113.410

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	-0.296
2	C	0.606
3	Cl	-0.168
4	F	-0.348
5	H	0.098
6	H	0.108

	x	y	z	Total
	0.839	1.925	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	8.151	0.283	0.000
y	0.283	5.653	0.000
z	0.000	0.000	4.379

<r²>	103.838
(<r²>)^1/2	10.190