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	hartrees
Energy at 0K	-633.196383
Energy at 298.15K	-633.198486
HF Energy	-632.734397
Nuclear repulsion energy	138.478090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3286	6.09
2	A'	3259	3259	2.69
3	A'	1737	1737	10.99
4	A'	1389	1389	0.35
5	A'	1301	1301	4.80
6	A'	1163	1163	82.60
7	A'	865	865	39.25
8	A'	444	444	1.90
9	A'	279	279	7.89
10	A"	975	975	65.81
11	A"	852	852	18.08
12	A"	278	278	3.30

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	1.019	-0.369
Cl3	-1.651	-0.088
F4	2.323	0.078
H5	0.125	1.557
H6	0.917	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3285	1.7470	2.3584	1.0799	2.1369
C2	1.3285		2.6841	1.3788	2.1229	1.0825
Cl3	1.7470	2.6841		3.9773	2.4200	2.9045
F4	2.3584	1.3788	3.9773		2.6496	2.0741
H5	1.0799	2.1229	2.4200	2.6496		3.1057
H6	2.1369	1.0825	2.9045	2.0741	3.1057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.168	C1	C2	H6	124.516
C2	C1	Cl3	120.957	C2	C1	H5	123.308
Cl3	C1	H5	115.735	F4	C2	H6	114.316

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

using model chemistry: MP3=FULL/3-21G*

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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