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	hartrees
Energy at 0K	-637.350023
Energy at 298.15K	-637.351977
HF Energy	-637.350023
Nuclear repulsion energy	138.189824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3145	8.33
2	A'	3145	3120	7.36
3	A'	1650	1636	18.89
4	A'	1301	1291	0.21
5	A'	1215	1205	5.01
6	A'	1119	1110	149.61
7	A'	832	825	59.12
8	A'	430	427	1.56
9	A'	263	261	5.17
10	A"	892	885	47.00
11	A"	742	736	11.91
12	A"	261	259	1.10

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.042	-0.361
Cl3	-1.657	-0.110
F4	2.314	0.114
H5	0.105	1.567
H6	0.983	-1.452

	C1	C2	Cl3	F4	H5	H6
C1		1.3401	1.7595	2.3431	1.0899	2.1694
C2	1.3401		2.7100	1.3582	2.1436	1.0925
Cl3	1.7595	2.7100		3.9771	2.4323	2.9608
F4	2.3431	1.3582	3.9771		2.6443	2.0555
H5	1.0899	2.1436	2.4323	2.6443		3.1441
H6	2.1694	1.0925	2.9608	2.0555	3.1441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.535	C1	C2	H6	125.895
C2	C1	Cl3	121.333	C2	C1	H5	123.477
Cl3	C1	H5	115.189	F4	C2	H6	113.570

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	-0.268
2	C	0.192
3	Cl	-0.013
4	F	-0.233
5	H	0.179
6	H	0.143

	x	y	z	Total
	0.381	-0.096	0.000	0.393
CHELPG
AIM
ESP

	x	y	z
x	7.343	-0.246	0.000
y	-0.246	4.233	0.000
z	0.000	0.000	2.214

<r²>	127.763
(<r²>)^1/2	11.303