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	hartrees
Energy at 0K	-637.296843
Energy at 298.15K	-637.298742
HF Energy	-637.296843
Nuclear repulsion energy	135.180648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3193	6.80
2	A'	3187	3163	3.34
3	A'	1644	1632	10.04
4	A'	1298	1288	0.90
5	A'	1206	1197	5.59
6	A'	1046	1038	105.12
7	A'	776	770	57.97
8	A'	404	401	1.93
9	A'	254	252	7.31
10	A"	904	897	71.70
11	A"	771	765	16.42
12	A"	251	249	2.64

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	1.068	-0.311
Cl3	-1.690	-0.204
F4	2.359	0.242
H5	0.027	1.581
H6	1.071	-1.399

	C1	C2	Cl3	F4	H5	H6
C1		1.3377	1.8292	2.3724	1.0863	2.1763
C2	1.3377		2.7601	1.4045	2.1592	1.0888
Cl3	1.8292	2.7601		4.0737	2.4771	3.0088
F4	2.3724	1.4045	4.0737		2.6890	2.0866
H5	1.0863	2.1592	2.4771	2.6890		3.1582
H6	2.1763	1.0888	3.0088	2.0866	3.1582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.780	C1	C2	H6	127.205
C2	C1	Cl3	120.484	C2	C1	H5	125.619
Cl3	C1	H5	113.897	F4	C2	H6	113.015

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

using model chemistry: BLYP/6-31G

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	-0.319
2	C	0.208
3	Cl	0.043
4	F	-0.270
5	H	0.183
6	H	0.156

	x	y	z	Total
	0.214	-0.094	0.000	0.234
CHELPG
AIM
ESP

	x	y	z
x	7.493	0.074	0.000
y	0.074	3.875	0.000
z	0.000	0.000	1.677

<r²>	133.268
(<r²>)^1/2	11.544