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	hartrees
Energy at 0K	-636.530293
Energy at 298.15K	-636.532408
HF Energy	-635.795627
Nuclear repulsion energy	140.422390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3105	8.32
2	A'	3270	3092	5.07
3	A'	1751	1656	27.87
4	A'	1356	1282	0.10
5	A'	1252	1184	3.06
6	A'	1200	1134	158.28
7	A'	903	854	42.54
8	A'	459	434	1.81
9	A'	272	257	6.13
10	A"	959	907	39.93
11	A"	828	783	11.93
12	A"	280	265	1.90

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	1.023	-0.359
Cl3	-1.629	-0.097
F4	2.277	0.087
H5	0.118	1.558
H6	0.943	-1.438

	C1	C2	Cl3	F4	H5	H6
C1		1.3260	1.7295	2.3110	1.0798	2.1409
C2	1.3260		2.6650	1.3304	2.1198	1.0819
Cl3	1.7295	2.6650		3.9098	2.4061	2.8999
F4	2.3110	1.3304	3.9098		2.6120	2.0263
H5	1.0798	2.1198	2.4061	2.6120		3.1071
H6	2.1409	1.0819	2.8999	2.0263	3.1071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.908	C1	C2	H6	125.211
C2	C1	Cl3	120.860	C2	C1	H5	123.230
Cl3	C1	H5	115.910	F4	C2	H6	113.881

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

using model chemistry: CCSD/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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