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	hartrees
Energy at 0K	-636.455334
Energy at 298.15K	-636.457385
HF Energy	-635.808992
Nuclear repulsion energy	138.956587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3252	3119
2	A'	3243	3110
3	A'	1704	1634
4	A'	1313	1259
5	A'	1225	1174
6	A'	1157	1110
7	A'	884	848
8	A'	448	429
9	A'	268	257
10	A"	914	876
11	A"	775	743
12	A"	271	260

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.030	-0.377
Cl3	-1.646	-0.081
F4	2.302	0.068
H5	0.141	1.571
H6	0.936	-1.468

	C1	C2	Cl3	F4	H5	H6
C1		1.3450	1.7408	2.3394	1.0935	2.1679
C2	1.3450		2.6923	1.3470	2.1420	1.0948
Cl3	1.7408	2.6923		3.9499	2.4338	2.9310
F4	2.3394	1.3470	3.9499		2.6316	2.0552
H5	1.0935	2.1420	2.4338	2.6316		3.1418
H6	2.1679	1.0948	2.9310	2.0552	3.1418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.683	C1	C2	H6	125.076
C2	C1	Cl3	120.956	C2	C1	H5	122.565
Cl3	C1	H5	116.479	F4	C2	H6	114.242

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

using model chemistry: QCISD(T)=FULL/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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