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	hartrees
Energy at 0K	-637.116284
Energy at 298.15K	-637.118459
HF Energy	-637.116284
Nuclear repulsion energy	143.970943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3132	7.09
2	A'	3129	3094	4.98
3	A'	1659	1640	62.29
4	A'	1309	1294	20.18
5	A'	1221	1208	37.36
6	A'	1044	1032	99.88
7	A'	787	778	19.37
8	A'	642	635	23.79
9	A'	191	189	1.13
10	A"	832	823	0.02
11	A"	720	711	55.22
12	A"	444	439	8.56

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.257	0.424
Cl3	-1.394	-0.168
F4	1.583	-0.881
H5	-0.211	1.936
H6	2.122	1.089

	C1	C2	Cl3	F4	H5	H6
C1		1.3330	1.7369	2.3591	1.0879	2.1338
C2	1.3330		2.7163	1.3453	2.1068	1.0914
Cl3	1.7369	2.7163		3.0613	2.4132	3.7344
F4	2.3591	1.3453	3.0613		3.3392	2.0427
H5	1.0879	2.1068	2.4132	3.3392		2.4821
H6	2.1338	1.0914	3.7344	2.0427	2.4821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.479	C1	C2	H6	123.011
C2	C1	Cl3	123.929	C2	C1	H5	120.635
Cl3	C1	H5	115.436	F4	C2	H6	113.510

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

using model chemistry: PBEPBE/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	-0.174
2	C	0.060
3	Cl	-0.042
4	F	-0.146
5	H	0.184
6	H	0.117

	x	y	z	Total
	0.814	1.944	0.000	2.107
CHELPG
AIM
ESP

	x	y	z
x	7.470	0.382	0.000
y	0.382	4.897	0.000
z	0.000	0.000	3.173

<r²>	105.640
(<r²>)^1/2	10.278