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	hartrees
Energy at 0K	-636.735275
Energy at 298.15K	-636.730111
HF Energy	-635.773577
Nuclear repulsion energy	141.031161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3433	3433	3.94
2	A'	3425	3425	11.36
3	A'	1897	1897	39.26
4	A'	1444	1444	0.08
5	A'	1352	1352	5.69
6	A'	1251	1251	223.36
7	A'	946	946	68.08
8	A'	485	485	2.41
9	A'	295	295	8.30
10	A"	1056	1056	45.92
11	A"	928	928	25.57
12	A"	303	303	3.61

Atom	x (Å)	y (Å)
C1	0.000	0.473
C2	1.028	-0.341
Cl3	-1.625	-0.122
F4	2.264	0.129
H5	0.101	1.542
H6	0.982	-1.414

	C1	C2	Cl3	F4	H5	H6
C1		1.3112	1.7311	2.2904	1.0736	2.1268
C2	1.3112		2.6628	1.3221	2.0984	1.0741
Cl3	1.7311	2.6628		3.8980	2.3978	2.9098
F4	2.2904	1.3221	3.8980		2.5842	2.0057
H5	1.0736	2.0984	2.3978	2.5842		3.0840
H6	2.1268	1.0741	2.9098	2.0057	3.0840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.867	C1	C2	H6	125.878
C2	C1	Cl3	121.542	C2	C1	H5	122.957
Cl3	C1	H5	115.502	F4	C2	H6	113.255

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

using model chemistry: CBS-Q

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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