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	hartrees
Energy at 0K	-629.613795
Energy at 298.15K	-629.615719
HF Energy	-629.613795
Nuclear repulsion energy	140.690191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3412	3117	20.99
2	A'	3274	2991	10.90
3	A'	1761	1609	24.82
4	A'	1412	1290	28.29
5	A'	1282	1171	13.10
6	A'	1122	1025	11.97
7	A'	831	759	16.16
8	A'	650	594	10.60
9	A'	170	155	0.47
10	A"	860	786	0.19
11	A"	709	648	23.75
12	A"	414	378	1.76

Atom	x (Å)	y (Å)
C1	0.000	0.907
C2	1.279	0.438
Cl3	-1.422	-0.192
F4	1.625	-0.882
H5	-0.246	1.982
H6	2.130	1.162

	C1	C2	Cl3	F4	H5	H6
C1		1.3618	1.7973	2.4166	1.1027	2.1452
C2	1.3618		2.7735	1.3651	2.1693	1.1174
Cl3	1.7973	2.7735		3.1240	2.4719	3.8016
F4	2.4166	1.3651	3.1240		3.4206	2.1060
H5	1.1027	2.1693	2.4719	3.4206		2.5129
H6	2.1452	1.1174	3.8016	2.1060	2.5129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.802	C1	C2	H6	119.498
C2	C1	Cl3	122.185	C2	C1	H5	122.993
Cl3	C1	H5	114.823	F4	C2	H6	115.700

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

using model chemistry: PBEPBE/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	-0.095
2	C	0.005
3	Cl	-0.112
4	F	-0.011
5	H	0.115
6	H	0.098

	x	y	z	Total
	1.822	1.254	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	4.356	0.235	0.000
y	0.235	2.596	0.000
z	0.000	0.000	0.491

<r²>	107.958
(<r²>)^1/2	10.390