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	hartrees
Energy at 0K	-1195.775232
Energy at 298.15K	-1195.778730
HF Energy	-1194.776394
Nuclear repulsion energy	375.603649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3138	3022
2	A	1408	1356
3	A	1296	1248
4	A	1153	1111
5	A	1087	1047
6	A	841	810
7	A	460	443
8	A	313	301
9	A	166	160
10	A	81	78
11	B	3147	3032
12	B	1345	1295
13	B	1225	1180
14	B	1107	1066
15	B	833	802
16	B	432	416
17	B	390	376
18	B	335	322

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.732	0.403
C2	0.226	-0.732	0.403
H3	-1.324	0.807	0.360
H4	1.324	-0.807	0.360
F5	0.226	1.300	1.562
F6	-0.226	-1.300	1.562
Cl7	0.462	1.606	-0.990
Cl8	-0.462	-1.606	-0.990

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5328	1.1019	2.1854	1.3668	2.3395	1.7828	2.7323
C2	1.5328		2.1854	1.1019	2.3395	1.3668	2.7323	1.7828
H3	1.1019	2.1854		3.1021	2.0225	2.6635	2.3770	2.8967
H4	2.1854	1.1019	3.1021		2.6635	2.0225	2.8967	2.3770
F5	1.3668	2.3395	2.0225	2.6635		2.6398	2.5809	3.9283
F6	2.3395	1.3668	2.6635	2.0225	2.6398		3.9283	2.5809
Cl7	1.7828	2.7323	2.3770	2.8967	2.5809	3.9283		3.3418
Cl8	2.7323	1.7828	2.8967	2.3770	3.9283	2.5809	3.3418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.035	C1	C2	F6	107.444
C1	C2	Cl8	110.765	C2	C1	H3	111.035
C2	C1	F5	107.444	C2	C1	Cl7	110.765
H3	C1	F5	109.556	H3	C1	Cl7	108.669
H4	C2	F6	109.556	H4	C2	Cl8	108.669
F5	C1	Cl7	109.349	F6	C2	Cl8	109.349

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: CCSD(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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