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	hartrees
Energy at 0K	-636.475605
Energy at 298.15K	-636.477667
HF Energy	-635.823155
Nuclear repulsion energy	138.770696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3146	0.57
2	A'	3257	3138	12.32
3	A'	1720	1657	22.14
4	A'	1320	1271	0.23
5	A'	1237	1191	5.02
6	A'	1128	1087	175.91
7	A'	884	852	48.84
8	A'	448	432	1.75
9	A'	271	261	6.63
10	A"	908	875	56.41
11	A"	788	760	4.73
12	A"	269	259	1.60

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.027	-0.374
Cl3	-1.646	-0.095
F4	2.304	0.093
H5	0.122	1.571
H6	0.956	-1.463

	C1	C2	Cl3	F4	H5	H6
C1		1.3397	1.7454	2.3374	1.0910	2.1711
C2	1.3397		2.6869	1.3595	2.1448	1.0913
Cl3	1.7454	2.6869		3.9540	2.4289	2.9389
F4	2.3374	1.3595	3.9540		2.6357	2.0581
H5	1.0910	2.1448	2.4289	2.6357		3.1460
H6	2.1711	1.0913	2.9389	2.0581	3.1460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.987	C1	C2	H6	126.227
C2	C1	Cl3	120.568	C2	C1	H5	123.546
Cl3	C1	H5	115.886	F4	C2	H6	113.785

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

using model chemistry: CCSD/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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