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	hartrees
Energy at 0K	-636.375906
Energy at 298.15K	-636.377996
HF Energy	-635.779549
Nuclear repulsion energy	139.675875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3123	6.28
2	A'	3304	3110	6.43
3	A'	1758	1655	20.03
4	A'	1361	1281	0.05
5	A'	1281	1206	8.65
6	A'	1179	1110	146.70
7	A'	908	855	45.19
8	A'	455	428	1.85
9	A'	275	259	6.74
10	A"	941	886	50.68
11	A"	796	749	9.91
12	A"	276	260	2.28

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.023	-0.377
Cl3	-1.638	-0.086
F4	2.292	0.086
H5	0.134	1.545
H6	0.950	-1.454

	C1	C2	Cl3	F4	H5	H6
C1		1.3309	1.7314	2.3249	1.0782	2.1507
C2	1.3309		2.6765	1.3512	2.1174	1.0799
Cl3	1.7314	2.6765		3.9339	2.4078	2.9280
F4	2.3249	1.3512	3.9339		2.6054	2.0426
H5	1.0782	2.1174	2.4078	2.6054		3.1085
H6	2.1507	1.0799	2.9280	2.0426	3.1085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.180	C1	C2	H6	125.961
C2	C1	Cl3	121.311	C2	C1	H5	122.682
Cl3	C1	H5	116.007	F4	C2	H6	113.859

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

using model chemistry: QCISD/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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