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	hartrees
Energy at 0K	-636.656958
Energy at 298.15K	-636.659080
HF Energy	-635.874972
Nuclear repulsion energy	140.627832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3072	1.14
2	A'	3250	3065	12.54
3	A'	1733	1635	28.74
4	A'	1344	1268	0.27
5	A'	1262	1190	3.62
6	A'	1175	1108	182.56
7	A'	909	858	46.29
8	A'	460	434	1.85
9	A'	277	261	6.14
10	A"	939	886	53.44
11	A"	832	785	7.42
12	A"	278	262	1.41

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.017	-0.369
Cl3	-1.626	-0.087
F4	2.274	0.081
H5	0.132	1.549
H6	0.940	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7217	2.3086	1.0790	2.1424
C2	1.3242		2.6583	1.3350	2.1129	1.0799
Cl3	1.7217	2.6583		3.9038	2.4021	2.9041
F4	2.3086	1.3350	3.9038		2.5969	2.0277
H5	1.0790	2.1129	2.4021	2.5969		3.1029
H6	2.1424	1.0799	2.9041	2.0277	3.1029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.486	C1	C2	H6	125.727
C2	C1	Cl3	121.007	C2	C1	H5	122.769
Cl3	C1	H5	116.223	F4	C2	H6	113.788

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

using model chemistry: CCSD/6-311+G(3df,2p)

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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