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	hartrees
Energy at 0K	-51.588694
Energy at 298.15K	-51.590746
HF Energy	-51.588694
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3242	5.11
2	A'	3234	3234	12.31
3	A'	1707	1707	25.98
4	A'	1323	1323	0.43
5	A'	1254	1254	3.46
6	A'	1158	1158	201.32
7	A'	887	887	65.71
8	A'	449	449	1.84
9	A'	271	271	6.69
10	A"	915	915	72.51
11	A"	788	788	13.83
12	A"	269	269	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.031	-0.361
Cl3	-1.643	-0.107
F4	2.295	0.108
H5	0.114	1.561
H6	0.970	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3317	1.7452	2.3257	1.0845	2.1583
C2	1.3317		2.6854	1.3489	2.1291	1.0862
Cl3	1.7452	2.6854		3.9440	2.4225	2.9360
F4	2.3257	1.3489	3.9440		2.6206	2.0418
H5	1.0845	2.1291	2.4225	2.6206		3.1258
H6	2.1583	1.0862	2.9360	2.0418	3.1258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.361	C1	C2	H6	126.113
C2	C1	Cl3	120.974	C2	C1	H5	123.243
Cl3	C1	H5	115.783	F4	C2	H6	113.526

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.221
2	C	0.092
3	Cl	-0.089
4	F	-0.227
5	H	0.245
6	H	0.200

	x	y	z	Total
	0.086	-0.199	0.000	0.216
CHELPG
AIM
ESP

	x	y	z
x	7.389	-0.358	0.000
y	-0.358	4.564	0.000
z	0.000	0.000	2.898

<r²>	85.293
(<r²>)^1/2	9.235