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	hartrees
Energy at 0K	-629.604760
Energy at 298.15K	-629.606639
HF Energy	-629.550704
Nuclear repulsion energy	136.489956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3512	20.74
2	A'	3434	3434	12.01
3	A'	1805	1805	11.02
4	A'	1395	1395	0.64
5	A'	1313	1313	32.97
6	A'	1263	1263	26.04
7	A'	936	936	27.19
8	A'	456	456	1.19
9	A'	262	262	4.10
10	A"	1007	1007	26.26
11	A"	782	782	6.98
12	A"	267	267	1.74

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	1.060	-0.336
Cl3	-1.677	-0.133
F4	2.347	0.121
H5	0.079	1.598
H6	0.941	-1.437

	C1	C2	Cl3	F4	H5	H6
C1		1.3524	1.7936	2.3782	1.0972	2.1567
C2	1.3524		2.7448	1.3653	2.1684	1.1075
Cl3	1.7936	2.7448		4.0320	2.4657	2.9251
F4	2.3782	1.3653	4.0320		2.7066	2.0980
H5	1.0972	2.1684	2.4657	2.7066		3.1549
H6	2.1567	1.1075	2.9251	2.0980	3.1549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.107	C1	C2	H6	122.197
C2	C1	Cl3	120.854	C2	C1	H5	124.221
Cl3	C1	H5	114.925	F4	C2	H6	115.696

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

using model chemistry: B2PLYP=FULL/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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