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	hartrees
Energy at 0K	-635.482037
Energy at 298.15K	-635.484078
HF Energy	-635.482037
Nuclear repulsion energy	141.261888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3105	10.34
2	A'	3118	3084	6.09
3	A'	1687	1669	26.77
4	A'	1262	1248	0.52
5	A'	1186	1173	53.77
6	A'	1164	1151	125.75
7	A'	889	879	45.67
8	A'	452	447	1.52
9	A'	260	258	5.06
10	A"	876	866	58.99
11	A"	791	783	12.04
12	A"	270	268	0.66

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.010	-0.377
Cl3	-1.617	-0.069
F4	2.264	0.056
H5	0.145	1.555
H6	0.910	-1.466

	C1	C2	Cl3	F4	H5	H6
C1		1.3214	1.7063	2.3025	1.0901	2.1434
C2	1.3214		2.6450	1.3269	2.1173	1.0930
Cl3	1.7063	2.6450		3.8833	2.3968	2.8872
F4	2.3025	1.3269	3.8833		2.5960	2.0369
H5	1.0901	2.1173	2.3968	2.5960		3.1164
H6	2.1434	1.0930	2.8872	2.0369	3.1164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.789	C1	C2	H6	124.915
C2	C1	Cl3	121.238	C2	C1	H5	122.522
Cl3	C1	H5	116.239	F4	C2	H6	114.296

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: LSDA/cc-pVTZ

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	-0.163
2	C	0.064
3	Cl	-0.048
4	F	-0.117
5	H	0.155
6	H	0.108

	x	y	z	Total
	0.119	-0.115	0.000	0.165
CHELPG
AIM
ESP

	x	y	z
x	7.839	-0.324	0.000
y	-0.324	4.955	0.000
z	0.000	0.000	3.276

<r²>	123.030
(<r²>)^1/2	11.092