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	hartrees
Energy at 0K	-637.111694
Energy at 298.15K
HF Energy	-636.914883
Nuclear repulsion energy	139.574151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3288	0.90
2	A'	3282	3282	14.08
3	A'	1712	1712	21.89
4	A'	1334	1334	0.23
5	A'	1264	1264	4.60
6	A'	1133	1133	191.18
7	A'	888	888	60.36
8	A'	449	449	1.60
9	A'	273	273	6.56
10	A"	922	922	71.03
11	A"	802	802	7.10
12	A"	271	271	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.022	-0.376
Cl3	-1.639	-0.091
F4	2.293	0.095
H5	0.127	1.546
H6	0.966	-1.454

	C1	C2	Cl3	F4	H5	H6
C1		1.3292	1.7334	2.3238	1.0798	2.1570
C2	1.3292		2.6763	1.3549	2.1203	1.0804
Cl3	1.7334	2.6763		3.9359	2.4078	2.9403
F4	2.3238	1.3549	3.9359		2.6071	2.0400
H5	1.0798	2.1203	2.4078	2.6071		3.1160
H6	2.1570	1.0804	2.9403	2.0400	3.1160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.938	C1	C2	H6	126.748
C2	C1	Cl3	121.258	C2	C1	H5	122.985
Cl3	C1	H5	115.757	F4	C2	H6	113.314

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

using model chemistry: B2PLYP=FULLultrafine/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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