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	hartrees
Energy at 0K	-1195.894624
Energy at 298.15K	-1195.898052
HF Energy	-1194.805282
Nuclear repulsion energy	374.073106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3133	3055
2	A	1377	1343
3	A	1269	1237
4	A	1132	1104
5	A	1036	1011
6	A	826	806
7	A	452	441
8	A	306	299
9	A	164	160
10	A	77	75
11	B	3143	3065
12	B	1312	1280
13	B	1213	1183
14	B	1033	1007
15	B	816	796
16	B	427	417
17	B	382	372
18	B	328	320

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.732	0.395
C2	0.227	-0.732	0.395
H3	-1.322	0.825	0.347
H4	1.322	-0.825	0.347
F5	0.227	1.314	1.569
F6	-0.227	-1.314	1.569
Cl7	0.490	1.602	-0.990
Cl8	-0.490	-1.602	-0.990

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5319	1.1003	2.1965	1.3865	2.3581	1.7861	2.7265
C2	1.5319		2.1965	1.1003	2.3581	1.3865	2.7265	1.7861
H3	1.1003	2.1965		3.1169	2.0325	2.6956	2.3822	2.8934
H4	2.1965	1.1003	3.1169		2.6956	2.0325	2.8934	2.3822
F5	1.3865	2.3581	2.0325	2.6956		2.6664	2.5886	3.9451
F6	2.3581	1.3865	2.6956	2.0325	2.6664		3.9451	2.5886
Cl7	1.7861	2.7265	2.3822	2.8934	2.5886	3.9451		3.3503
Cl8	2.7265	1.7861	2.8934	2.3822	3.9451	2.5886	3.3503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.081	C1	C2	F6	107.705
C1	C2	Cl8	110.283	C2	C1	H3	112.081
C2	C1	F5	107.705	C2	C1	Cl7	110.283
H3	C1	F5	109.092	H3	C1	Cl7	108.910
H4	C2	F6	109.092	H4	C2	Cl8	108.910
F5	C1	Cl7	108.703	F6	C2	Cl8	108.703

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

using model chemistry: MP4=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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