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	hartrees
Energy at 0K	-629.711836
Energy at 298.15K	-629.713890
HF Energy	-629.711836
Nuclear repulsion energy	142.135523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3116	27.60
2	A'	3415	3012	19.19
3	A'	1856	1638	26.39
4	A'	1472	1299	31.15
5	A'	1322	1166	14.29
6	A'	1167	1029	14.04
7	A'	870	768	16.96
8	A'	676	596	11.59
9	A'	178	157	0.56
10	A"	941	830	0.03
11	A"	764	674	21.23
12	A"	443	391	1.66

Atom	x (Å)	y (Å)
C1	0.000	0.899
C2	1.264	0.440
Cl3	-1.406	-0.195
F4	1.606	-0.871
H5	-0.246	1.965
H6	2.109	1.155

	C1	C2	Cl3	F4	H5	H6
C1		1.3445	1.7810	2.3898	1.0942	2.1244
C2	1.3445		2.7437	1.3545	2.1460	1.1076
Cl3	1.7810	2.7437		3.0864	2.4518	3.7650
F4	2.3898	1.3545	3.0864		3.3870	2.0879
H5	1.0942	2.1460	2.4518	3.3870		2.4899
H6	2.1244	1.1076	3.7650	2.0879	2.4899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.607	C1	C2	H6	119.765
C2	C1	Cl3	122.140	C2	C1	H5	122.947
Cl3	C1	H5	114.913	F4	C2	H6	115.628

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

using model chemistry: PBE1PBE/STO-3G

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	-0.090
2	C	0.027
3	Cl	-0.117
4	F	-0.041
5	H	0.119
6	H	0.102

	x	y	z	Total
	1.796	1.518	0.000	2.352
CHELPG
AIM
ESP

	x	y	z
x	4.201	0.213	0.000
y	0.213	2.488	0.000
z	0.000	0.000	0.469

<r²>	106.041
(<r²>)^1/2	10.298