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	hartrees
Energy at 0K	-636.819136
Energy at 298.15K	-636.821275
HF Energy	-635.875224
Nuclear repulsion energy	140.926585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3267	0.83
2	A'	3260	3260	12.95
3	A'	1743	1743	29.05
4	A'	1349	1349	0.24
5	A'	1263	1263	3.12
6	A'	1181	1181	183.56
7	A'	916	916	45.55
8	A'	463	463	1.87
9	A'	278	278	6.06
10	A"	947	947	53.46
11	A"	848	848	7.45
12	A"	281	281	1.41

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.015	-0.371
Cl3	-1.623	-0.083
F4	2.270	0.076
H5	0.137	1.544
H6	0.937	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3215	1.7165	2.3048	1.0777	2.1383
C2	1.3215		2.6539	1.3322	2.1070	1.0785
Cl3	1.7165	2.6539		3.8964	2.3968	2.9010
F4	2.3048	1.3322	3.8964		2.5895	2.0238
H5	1.0777	2.1070	2.3968	2.5895		3.0962
H6	2.1383	1.0785	2.9010	2.0238	3.0962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.565	C1	C2	H6	125.679
C2	C1	Cl3	121.207	C2	C1	H5	122.529
Cl3	C1	H5	116.264	F4	C2	H6	113.755

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

using model chemistry: CCSD=FULL/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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