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	hartrees
Energy at 0K	-636.477482
Energy at 298.15K	-636.479537
HF Energy	-635.823008
Nuclear repulsion energy	138.689052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3161	0.55
2	A'	3256	3154	12.77
3	A'	1715	1661	21.38
4	A'	1317	1276	0.30
5	A'	1234	1196	5.18
6	A'	1120	1085	174.76
7	A'	881	854	49.21
8	A'	447	433	1.72
9	A'	270	262	6.59
10	A"	905	877	56.72
11	A"	785	761	4.46
12	A"	268	260	1.57

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.027	-0.375
Cl3	-1.646	-0.095
F4	2.305	0.092
H5	0.122	1.571
H6	0.957	-1.464

	C1	C2	Cl3	F4	H5	H6
C1		1.3402	1.7461	2.3390	1.0911	2.1726
C2	1.3402		2.6876	1.3615	2.1458	1.0914
Cl3	1.7461	2.6876		3.9563	2.4295	2.9410
F4	2.3390	1.3615	3.9563		2.6372	2.0594
H5	1.0911	2.1458	2.4295	2.6372		3.1476
H6	2.1726	1.0914	2.9410	2.0594	3.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.937	C1	C2	H6	126.326
C2	C1	Cl3	120.534	C2	C1	H5	123.588
Cl3	C1	H5	115.878	F4	C2	H6	113.737

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

using model chemistry: QCISD/aug-cc-pVDZ

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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