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	hartrees
Energy at 0K	-1195.818473
Energy at 298.15K	-1195.821972
HF Energy	-1194.806362
Nuclear repulsion energy	376.006672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3072	0.07
2	A	1392	1349	4.88
3	A	1285	1245	9.44
4	A	1149	1114	56.53
5	A	1059	1026	204.12
6	A	845	819	82.06
7	A	463	448	0.26
8	A	311	302	1.15
9	A	167	162	0.38
10	A	80	78	0.59
11	B	3180	3082	6.51
12	B	1327	1286	5.81
13	B	1227	1190	20.78
14	B	1058	1026	25.31
15	B	837	811	88.28
16	B	434	420	10.38
17	B	390	378	7.60
18	B	334	324	10.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.729	0.395
C2	0.227	-0.729	0.395
H3	-1.319	0.818	0.349
H4	1.319	-0.818	0.349
F5	0.227	1.310	1.562
F6	-0.227	-1.310	1.562
Cl7	0.480	1.591	-0.987
Cl8	-0.480	-1.591	-0.987

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5267	1.0974	2.1875	1.3806	2.3494	1.7750	2.7117
C2	1.5267		2.1875	1.0974	2.3494	1.3806	2.7117	1.7750
H3	1.0974	2.1875		3.1048	2.0257	2.6819	2.3709	2.8795
H4	2.1875	1.0974	3.1048		2.6819	2.0257	2.8795	2.3709
F5	1.3806	2.3494	2.0257	2.6819		2.6587	2.5769	3.9256
F6	2.3494	1.3806	2.6819	2.0257	2.6587		3.9256	2.5769
Cl7	1.7750	2.7117	2.3709	2.8795	2.5769	3.9256		3.3232
Cl8	2.7117	1.7750	2.8795	2.3709	3.9256	2.5769	3.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.906	C1	C2	F6	107.720
C1	C2	Cl8	110.209	C2	C1	H3	111.906
C2	C1	F5	107.720	C2	C1	Cl7	110.209
H3	C1	F5	109.131	H3	C1	Cl7	108.965
H4	C2	F6	109.131	H4	C2	Cl8	108.965
F5	C1	Cl7	108.854	F6	C2	Cl8	108.854

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

using model chemistry: MP2=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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