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	hartrees
Energy at 0K	-636.359938
Energy at 298.15K	-636.362016
HF Energy	-635.775486
Nuclear repulsion energy	139.557014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3120	6.26
2	A'	3262	3107	5.78
3	A'	1750	1667	20.02
4	A'	1352	1288	0.03
5	A'	1277	1216	5.82
6	A'	1176	1120	147.13
7	A'	906	863	46.10
8	A'	455	433	1.89
9	A'	276	263	6.88
10	A"	932	887	55.10
11	A"	795	757	10.67
12	A"	276	263	2.33

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.023	-0.376
Cl3	-1.639	-0.087
F4	2.293	0.087
H5	0.131	1.552
H6	0.954	-1.460

	C1	C2	Cl3	F4	H5	H6
C1		1.3312	1.7326	2.3256	1.0841	2.1582
C2	1.3312		2.6768	1.3523	2.1248	1.0855
Cl3	1.7326	2.6768		3.9353	2.4118	2.9338
F4	2.3256	1.3523	3.9353		2.6118	2.0457
H5	1.0841	2.1248	2.4118	2.6118		3.1225
H6	2.1582	1.0855	2.9338	2.0457	3.1225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.137	C1	C2	H6	126.212
C2	C1	Cl3	121.223	C2	C1	H5	122.897
Cl3	C1	H5	115.880	F4	C2	H6	113.651

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

using model chemistry: QCISD/6-31G*

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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