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	hartrees
Energy at 0K	-636.445372
Energy at 298.15K	-636.447427
HF Energy	-635.822952
Nuclear repulsion energy	138.926144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3145	0.87
2	A'	3272	3138	13.73
3	A'	1688	1619	21.43
4	A'	1312	1258	0.56
5	A'	1229	1178	4.54
6	A'	1117	1071	176.33
7	A'	889	853	49.26
8	A'	448	430	1.76
9	A'	269	258	6.26
10	A"	904	867	60.70
11	A"	781	749	5.04
12	A"	270	259	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.020	-0.384
Cl3	-1.643	-0.079
F4	2.303	0.069
H5	0.136	1.570
H6	0.936	-1.472

	C1	C2	Cl3	F4	H5	H6
C1		1.3425	1.7378	2.3412	1.0903	2.1719
C2	1.3425		2.6800	1.3611	2.1451	1.0905
Cl3	1.7378	2.6800		3.9486	2.4257	2.9302
F4	2.3412	1.3611	3.9486		2.6360	2.0603
H5	1.0903	2.1451	2.4257	2.6360		3.1450
H6	2.1719	1.0905	2.9302	2.0603	3.1450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.979	C1	C2	H6	126.110
C2	C1	Cl3	120.388	C2	C1	H5	123.369
Cl3	C1	H5	116.242	F4	C2	H6	113.911

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

using model chemistry: MP2/aug-cc-pVDZ

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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