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	hartrees
Energy at 0K	-637.130242
Energy at 298.15K	-637.132319
HF Energy	-636.934144
Nuclear repulsion energy	139.483949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3127	6.24
2	A'	3253	3118	6.62
3	A'	1720	1649	24.88
4	A'	1317	1263	0.09
5	A'	1224	1173	1.44
6	A'	1160	1112	175.72
7	A'	883	846	53.13
8	A'	451	432	1.70
9	A'	270	259	6.04
10	A"	933	894	48.89
11	A"	804	770	14.22
12	A"	275	264	1.53

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.029	-0.367
Cl3	-1.640	-0.092
F4	2.293	0.085
H5	0.129	1.563
H6	0.946	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3337	1.7375	2.3270	1.0892	2.1548
C2	1.3337		2.6830	1.3430	2.1296	1.0905
Cl3	1.7375	2.6830		3.9373	2.4227	2.9230
F4	2.3270	1.3430	3.9373		2.6203	2.0462
H5	1.0892	2.1296	2.4227	2.6203		3.1262
H6	2.1548	1.0905	2.9230	2.0462	3.1262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.775	C1	C2	H6	125.166
C2	C1	Cl3	121.203	C2	C1	H5	122.718
Cl3	C1	H5	116.079	F4	C2	H6	114.059

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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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