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	hartrees
Energy at 0K	-636.509166
Energy at 298.15K	-636.511266
HF Energy	-635.868770
Nuclear repulsion energy	139.976869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3117	4.24
2	A'	3280	3109	7.13
3	A'	1751	1660	21.39
4	A'	1366	1295	0.13
5	A'	1282	1216	5.46
6	A'	1175	1114	172.71
7	A'	903	856	46.65
8	A'	457	433	1.95
9	A'	278	263	7.28
10	A"	933	885	59.02
11	A"	791	750	6.32
12	A"	272	258	1.82

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.027	-0.354
Cl3	-1.635	-0.114
F4	2.282	0.120
H5	0.112	1.550
H6	0.972	-1.432

	C1	C2	Cl3	F4	H5	H6
C1		1.3223	1.7386	2.3101	1.0781	2.1433
C2	1.3223		2.6727	1.3415	2.1132	1.0795
Cl3	1.7386	2.6727		3.9238	2.4129	2.9205
F4	2.3101	1.3415	3.9238		2.5991	2.0318
H5	1.0781	2.1132	2.4129	2.5991		3.1041
H6	2.1433	1.0795	2.9205	2.0318	3.1041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.276	C1	C2	H6	126.051
C2	C1	Cl3	121.062	C2	C1	H5	123.047
Cl3	C1	H5	115.891	F4	C2	H6	113.673

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

using model chemistry: CCD/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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