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	hartrees
Energy at 0K	-633.001084
Energy at 298.15K	-633.003062
HF Energy	-632.622325
Nuclear repulsion energy	135.279315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3274	3175
2	A'	3220	3122
3	A'	1680	1630
4	A'	1372	1330
5	A'	1226	1189
6	A'	1120	1086
7	A'	774	751
8	A'	411	398
9	A'	259	251
10	A"	956	927
11	A"	817	793
12	A"	262	254

Atom	x (Å)	y (Å)
C1	0.000	0.523
C2	1.069	-0.273
Cl3	-1.686	-0.234
F4	2.356	0.247
H5	0.011	1.605
H6	1.027	-1.358

	C1	C2	Cl3	F4	H5	H6
C1		1.3335	1.8483	2.3725	1.0811	2.1434
C2	1.3335		2.7557	1.3882	2.1554	1.0854
Cl3	1.8483	2.7557		4.0710	2.5020	2.9369
F4	2.3725	1.3882	4.0710		2.7097	2.0839
H5	1.0811	2.1554	2.5020	2.7097		3.1317
H6	2.1434	1.0854	2.9369	2.0839	3.1317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.296	C1	C2	H6	124.462
C2	C1	Cl3	119.128	C2	C1	H5	126.095
Cl3	C1	H5	114.777	F4	C2	H6	114.242

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

using model chemistry: MP4/3-21G

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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