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	hartrees
Energy at 0K	-629.604766
Energy at 298.15K
HF Energy	-629.550711
Nuclear repulsion energy	136.492982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3511	20.71
2	A'	3434	3434	12.09
3	A'	1805	1805	11.08
4	A'	1395	1395	0.64
5	A'	1313	1313	33.00
6	A'	1263	1263	25.93
7	A'	935	935	27.22
8	A'	455	455	1.20
9	A'	262	262	4.10
10	A"	1007	1007	26.27
11	A"	783	783	6.98
12	A"	267	267	1.75

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	1.060	-0.335
Cl3	-1.677	-0.133
F4	2.347	0.120
H5	0.079	1.599
H6	0.941	-1.436

	C1	C2	Cl3	F4	H5	H6
C1		1.3524	1.7937	2.3783	1.0973	2.1565
C2	1.3524		2.7443	1.3653	2.1688	1.1074
Cl3	1.7937	2.7443		4.0318	2.4658	2.9239
F4	2.3783	1.3653	4.0318		2.7075	2.0980
H5	1.0973	2.1688	2.4658	2.7075		3.1550
H6	2.1565	1.1074	2.9239	2.0980	3.1550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.122	C1	C2	H6	122.181
C2	C1	Cl3	120.813	C2	C1	H5	124.260
Cl3	C1	H5	114.927	F4	C2	H6	115.696

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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