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	hartrees
Energy at 0K	-636.538337
Energy at 298.15K	-636.540369
HF Energy	-635.867721
Nuclear repulsion energy	139.340279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3261	3140
2	A'	3251	3130
3	A'	1684	1622
4	A'	1342	1292
5	A'	1262	1215
6	A'	1133	1091
7	A'	883	850
8	A'	446	430
9	A'	271	261
10	A"	903	870
11	A"	740	712
12	A"	264	254

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.028	-0.364
Cl3	-1.642	-0.104
F4	2.295	0.106
H5	0.121	1.555
H6	0.966	-1.444

	C1	C2	Cl3	F4	H5	H6
C1		1.3313	1.7429	2.3251	1.0803	2.1546
C2	1.3313		2.6822	1.3509	2.1228	1.0820
Cl3	1.7429	2.6822		3.9416	2.4206	2.9317
F4	2.3251	1.3509	3.9416		2.6124	2.0418
H5	1.0803	2.1228	2.4206	2.6124		3.1162
H6	2.1546	1.0820	2.9317	2.0418	3.1162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.191	C1	C2	H6	126.147
C2	C1	Cl3	120.921	C2	C1	H5	123.013
Cl3	C1	H5	116.065	F4	C2	H6	113.662

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

using model chemistry: MP4/TZVP

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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