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	hartrees
Energy at 0K	-636.392560
Energy at 298.15K	-636.394632
HF Energy	-635.787552
Nuclear repulsion energy	139.457876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3133	0.80
2	A'	3307	3126	12.00
3	A'	1738	1643	19.88
4	A'	1348	1274	0.03
5	A'	1283	1213	8.03
6	A'	1140	1078	173.73
7	A'	904	855	50.01
8	A'	451	427	1.83
9	A'	274	259	7.14
10	A"	921	871	68.38
11	A"	793	749	4.58
12	A"	270	255	1.78

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.019	-0.383
Cl3	-1.639	-0.082
F4	2.296	0.086
H5	0.136	1.545
H6	0.959	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3317	1.7313	2.3285	1.0789	2.1601
C2	1.3317		2.6750	1.3607	2.1204	1.0795
Cl3	1.7313	2.6750		3.9388	2.4083	2.9414
F4	2.3285	1.3607	3.9388		2.6062	2.0449
H5	1.0789	2.1204	2.4083	2.6062		3.1165
H6	2.1601	1.0795	2.9414	2.0449	3.1165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.721	C1	C2	H6	126.926
C2	C1	Cl3	121.137	C2	C1	H5	122.849
Cl3	C1	H5	116.013	F4	C2	H6	113.353

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

using model chemistry: QCISD/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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