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	hartrees
Energy at 0K	-637.356137
Energy at 298.15K	-637.358250
HF Energy	-637.356137
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3263	9.82
2	A'	3238	3238	5.22
3	A'	1752	1752	32.28
4	A'	1345	1345	0.33
5	A'	1248	1248	0.80
6	A'	1201	1201	174.53
7	A'	897	897	50.44
8	A'	460	460	1.66
9	A'	274	274	5.70
10	A"	945	945	39.67
11	A"	826	826	16.24
12	A"	280	280	1.50

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.024	-0.354
Cl3	-1.626	-0.100
F4	2.272	0.090
H5	0.112	1.558
H6	0.943	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3223	1.7275	2.3057	1.0812	2.1370
C2	1.3223		2.6628	1.3246	2.1181	1.0843
Cl3	1.7275	2.6628		3.9032	2.4022	2.8958
F4	2.3057	1.3246	3.9032		2.6113	2.0232
H5	1.0812	2.1181	2.4022	2.6113		3.1061
H6	2.1370	1.0843	2.8958	2.0232	3.1061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.175	C1	C2	H6	124.944
C2	C1	Cl3	121.068	C2	C1	H5	123.280
Cl3	C1	H5	115.651	F4	C2	H6	113.881

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.204
2	C	0.069
3	Cl	-0.114
4	F	-0.096
5	H	0.186
6	H	0.160

	x	y	z	Total
	0.403	-0.095	0.000	0.414
CHELPG
AIM
ESP

	x	y	z
x	7.315	-0.353	0.000
y	-0.353	4.599	0.000
z	0.000	0.000	2.961

<r²>	123.748
(<r²>)^1/2	11.124