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	hartrees
Energy at 0K	-636.568468
Energy at 298.15K	-636.570599
HF Energy	-635.795913
Nuclear repulsion energy	140.816802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3100	8.23
2	A'	3279	3088	5.31
3	A'	1759	1657	28.78
4	A'	1362	1282	0.15
5	A'	1259	1185	3.72
6	A'	1205	1135	158.18
7	A'	911	858	41.41
8	A'	463	436	1.81
9	A'	275	259	6.09
10	A"	964	907	39.15
11	A"	835	786	12.56
12	A"	283	266	1.85

Atom	x (Å)	y (Å)
C1	0.000	0.483
C2	1.019	-0.361
Cl3	-1.624	-0.090
F4	2.272	0.076
H5	0.123	1.554
H6	0.931	-1.438

	C1	C2	Cl3	F4	H5	H6
C1		1.3227	1.7224	2.3083	1.0782	2.1345
C2	1.3227		2.6567	1.3272	2.1140	1.0804
Cl3	1.7224	2.6567		3.8998	2.3994	2.8890
F4	2.3083	1.3272	3.8998		2.6085	2.0217
H5	1.0782	2.1140	2.3994	2.6085		3.0990
H6	2.1345	1.0804	2.8890	2.0217	3.0990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.167	C1	C2	H6	125.003
C2	C1	Cl3	120.925	C2	C1	H5	123.085
Cl3	C1	H5	115.989	F4	C2	H6	113.830

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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