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	hartrees
Energy at 0K	-636.378627
Energy at 298.15K	-636.380718
HF Energy	-635.775783
Nuclear repulsion energy	139.769307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3115	6.18
2	A'	3266	3102	5.56
3	A'	1759	1671	21.06
4	A'	1356	1288	0.06
5	A'	1280	1216	5.52
6	A'	1184	1125	149.42
7	A'	910	864	45.50
8	A'	457	434	1.93
9	A'	277	264	6.90
10	A"	937	890	54.79
11	A"	804	764	11.03
12	A"	278	264	2.37

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.021	-0.375
Cl3	-1.636	-0.087
F4	2.289	0.087
H5	0.131	1.551
H6	0.951	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3290	1.7302	2.3222	1.0836	2.1544
C2	1.3290		2.6733	1.3492	2.1216	1.0850
Cl3	1.7302	2.6733		3.9295	2.4097	2.9283
F4	2.3222	1.3492	3.9295		2.6081	2.0432
H5	1.0836	2.1216	2.4097	2.6081		3.1184
H6	2.1544	1.0850	2.9283	2.0432	3.1184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.235	C1	C2	H6	126.067
C2	C1	Cl3	121.265	C2	C1	H5	122.813
Cl3	C1	H5	115.922	F4	C2	H6	113.698

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

using model chemistry: CCSD=FULL/6-31G*

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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