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	hartrees
Energy at 0K	-637.371559
Energy at 298.15K	-637.373501
HF Energy	-637.371559
Nuclear repulsion energy	137.885263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3148	4.96
2	A'	3159	3143	9.60
3	A'	1627	1618	17.45
4	A'	1279	1273	0.41
5	A'	1207	1201	3.65
6	A'	1067	1061	187.58
7	A'	826	821	68.45
8	A'	425	423	1.32
9	A'	262	260	5.85
10	A"	872	867	68.84
11	A"	751	747	5.94
12	A"	256	255	1.01

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.038	-0.370
Cl3	-1.659	-0.109
F4	2.319	0.122
H5	0.107	1.562
H6	1.000	-1.459

	C1	C2	Cl3	F4	H5	H6
C1		1.3401	1.7600	2.3463	1.0897	2.1802
C2	1.3401		2.7100	1.3720	2.1444	1.0905
Cl3	1.7600	2.7100		3.9852	2.4319	2.9826
F4	2.3463	1.3720	3.9852		2.6395	2.0592
H5	1.0897	2.1444	2.4319	2.6395		3.1508
H6	2.1802	1.0905	2.9826	2.0592	3.1508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.789	C1	C2	H6	127.225
C2	C1	Cl3	121.295	C2	C1	H5	123.571
Cl3	C1	H5	115.133	F4	C2	H6	112.987

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

using model chemistry: BLYP/6-31+G**

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	-0.147
2	C	0.076
3	Cl	0.006
4	F	-0.268
5	H	0.182
6	H	0.151

	x	y	z	Total
	-0.098	-0.194	0.000	0.217
CHELPG
AIM
ESP

	x	y	z
x	8.292	-0.319	0.000
y	-0.319	5.023	0.000
z	0.000	0.000	3.670

<r²>	128.929
(<r²>)^1/2	11.355