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	hartrees
Energy at 0K	-636.616139
Energy at 298.15K	-636.618180
HF Energy	-635.868069
Nuclear repulsion energy	139.516729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3257	3114
2	A'	3252	3109
3	A'	1696	1621
4	A'	1345	1285
5	A'	1265	1209
6	A'	1148	1098
7	A'	886	847
8	A'	449	429
9	A'	272	260
10	A"	903	863
11	A"	746	714
12	A"	264	253

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	1.030	-0.361
Cl3	-1.640	-0.110
F4	2.290	0.114
H5	0.115	1.554
H6	0.971	-1.440

	C1	C2	Cl3	F4	H5	H6
C1		1.3297	1.7426	2.3190	1.0798	2.1518
C2	1.3297		2.6812	1.3467	2.1221	1.0807
Cl3	1.7426	2.6812		3.9360	2.4180	2.9301
F4	2.3190	1.3467	3.9360		2.6083	2.0383
H5	1.0798	2.1221	2.4180	2.6083		3.1139
H6	2.1518	1.0807	2.9301	2.0383	3.1139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.100	C1	C2	H6	126.129
C2	C1	Cl3	120.964	C2	C1	H5	123.131
Cl3	C1	H5	115.905	F4	C2	H6	113.770

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

using model chemistry: CCSD(T)=FULL/TZVP

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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