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	hartrees
Energy at 0K	-636.679186
Energy at 298.15K	-636.681298
HF Energy	-635.887124
Nuclear repulsion energy	140.480011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3125	1.87
2	A'	3257	3117	11.78
3	A'	1745	1670	27.49
4	A'	1340	1283	0.19
5	A'	1256	1202	3.08
6	A'	1177	1126	182.97
7	A'	902	863	44.05
8	A'	458	438	1.81
9	A'	272	261	6.36
10	A"	938	898	54.68
11	A"	823	788	7.09
12	A"	277	265	1.49

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	1.019	-0.363
Cl3	-1.627	-0.098
F4	2.276	0.095
H5	0.123	1.551
H6	0.946	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3224	1.7272	2.3084	1.0776	2.1393
C2	1.3224		2.6598	1.3373	2.1127	1.0788
Cl3	1.7272	2.6598		3.9081	2.4049	2.9013
F4	2.3084	1.3373	3.9081		2.5991	2.0301
H5	1.0776	2.1127	2.4049	2.5991		3.1006
H6	2.1393	1.0788	2.9013	2.0301	3.1006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.425	C1	C2	H6	125.675
C2	C1	Cl3	120.844	C2	C1	H5	123.031
Cl3	C1	H5	116.124	F4	C2	H6	113.900

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

using model chemistry: CCD/aug-cc-pVTZ

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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