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	hartrees
Energy at 0K	-636.384870
Energy at 298.15K	-636.386962
HF Energy	-635.787898
Nuclear repulsion energy	139.688743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3131	0.81
2	A'	3316	3125	11.51
3	A'	1758	1656	19.01
4	A'	1355	1277	0.02
5	A'	1290	1215	8.05
6	A'	1158	1091	171.94
7	A'	913	860	47.08
8	A'	455	429	1.98
9	A'	277	261	7.39
10	A"	929	875	68.51
11	A"	806	760	4.62
12	A"	272	257	1.88

Atom	x (Å)	y (Å)
C1	0.000	0.473
C2	1.018	-0.381
Cl3	-1.637	-0.084
F4	2.292	0.088
H5	0.136	1.543
H6	0.958	-1.459

	C1	C2	Cl3	F4	H5	H6
C1		1.3292	1.7291	2.3239	1.0784	2.1561
C2	1.3292		2.6719	1.3570	2.1169	1.0790
Cl3	1.7291	2.6719		3.9324	2.4059	2.9365
F4	2.3239	1.3570	3.9324		2.6012	2.0421
H5	1.0784	2.1169	2.4059	2.6012		3.1120
H6	2.1561	1.0790	2.9365	2.0421	3.1120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.791	C1	C2	H6	126.779
C2	C1	Cl3	121.217	C2	C1	H5	122.767
Cl3	C1	H5	116.016	F4	C2	H6	113.430

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

using model chemistry: CCD/6-31+G**

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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