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	hartrees
Energy at 0K	-636.557996
Energy at 298.15K	-636.560070
HF Energy	-635.795058
Nuclear repulsion energy	140.096048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3265	3265
2	A'	3250	3250
3	A'	1708	1708
4	A'	1340	1340
5	A'	1236	1236
6	A'	1184	1184
7	A'	890	890
8	A'	453	453
9	A'	268	268
10	A"	935	935
11	A"	796	796
12	A"	274	274

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	1.024	-0.363
Cl3	-1.631	-0.093
F4	2.282	0.078
H5	0.120	1.565
H6	0.936	-1.443

	C1	C2	Cl3	F4	H5	H6
C1		1.3326	1.7325	2.3188	1.0814	2.1477
C2	1.3326		2.6688	1.3334	2.1291	1.0835
Cl3	1.7325	2.6688		3.9171	2.4118	2.9004
F4	2.3188	1.3334	3.9171		2.6235	2.0314
H5	1.0814	2.1291	2.4118	2.6235		3.1164
H6	2.1477	1.0835	2.9004	2.0314	3.1164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.858	C1	C2	H6	125.152
C2	C1	Cl3	120.521	C2	C1	H5	123.426
Cl3	C1	H5	116.053	F4	C2	H6	113.990

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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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