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	hartrees
Energy at 0K	-636.489490
Energy at 298.15K	-636.491555
HF Energy	-635.823356
Nuclear repulsion energy	138.900337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	0.64
2	A'	3262	3262	12.32
3	A'	1724	1724	22.48
4	A'	1321	1321	0.21
5	A'	1235	1235	4.82
6	A'	1131	1131	176.46
7	A'	885	885	48.33
8	A'	449	449	1.75
9	A'	270	270	6.59
10	A"	910	910	56.29
11	A"	791	791	4.85
12	A"	270	270	1.59

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	1.026	-0.374
Cl3	-1.644	-0.094
F4	2.302	0.090
H5	0.124	1.569
H6	0.954	-1.462

	C1	C2	Cl3	F4	H5	H6
C1		1.3386	1.7435	2.3358	1.0901	2.1690
C2	1.3386		2.6846	1.3581	2.1422	1.0904
Cl3	1.7435	2.6846		3.9506	2.4270	2.9363
F4	2.3358	1.3581	3.9506		2.6329	2.0560
H5	1.0901	2.1422	2.4270	2.6329		3.1427
H6	2.1690	1.0904	2.9363	2.0560	3.1427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.037	C1	C2	H6	126.195
C2	C1	Cl3	120.598	C2	C1	H5	123.463
Cl3	C1	H5	115.939	F4	C2	H6	113.768

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

using model chemistry: CCSD=FULL/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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