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	hartrees
Energy at 0K	-637.210040
Energy at 298.15K	-637.212124
HF Energy	-636.976670
Nuclear repulsion energy	139.900579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3259	8.08
2	A'	3247	3247	6.35
3	A'	1708	1708	24.47
4	A'	1331	1331	0.34
5	A'	1250	1250	3.39
6	A'	1153	1153	178.70
7	A'	883	883	61.11
8	A'	451	451	1.94
9	A'	273	273	6.11
10	A"	934	934	65.58
11	A"	806	806	13.51
12	A"	274	274	1.42

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.028	-0.363
Cl3	-1.637	-0.100
F4	2.286	0.103
H5	0.116	1.548
H6	0.962	-1.442

	C1	C2	Cl3	F4	H5	H6
C1		1.3259	1.7347	2.3163	1.0791	2.1445
C2	1.3259		2.6773	1.3418	2.1169	1.0811
Cl3	1.7347	2.6773		3.9281	2.4057	2.9243
F4	2.3163	1.3418	3.9281		2.6072	2.0348
H5	1.0791	2.1169	2.4057	2.6072		3.1069
H6	2.1445	1.0811	2.9243	2.0348	3.1069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.514	C1	C2	H6	125.680
C2	C1	Cl3	121.455	C2	C1	H5	123.012
Cl3	C1	H5	115.534	F4	C2	H6	113.805

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

using model chemistry: B2PLYP=FULL/6-311G**

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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