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	hartrees
Energy at 0K	-1195.863342
Energy at 298.15K	-1195.866887
HF Energy	-1194.838959
Nuclear repulsion energy	376.729257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3127	3010
2	A	1433	1380
3	A	1342	1292
4	A	1153	1110
5	A	1093	1052
6	A	856	824
7	A	466	449
8	A	318	306
9	A	171	165
10	A	84	81
11	B	3137	3021
12	B	1377	1326
13	B	1269	1222
14	B	1105	1064
15	B	845	814
16	B	440	423
17	B	397	383
18	B	338	326

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.730	0.399
C2	0.225	-0.730	0.399
H3	-1.315	0.807	0.361
H4	1.315	-0.807	0.361
F5	0.225	1.296	1.556
F6	-0.225	-1.296	1.556
Cl7	0.460	1.605	-0.986
Cl8	-0.460	-1.605	-0.986

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5279	1.0937	2.1766	1.3644	2.3331	1.7753	2.7249
C2	1.5279		2.1766	1.0937	2.3331	1.3644	2.7249	1.7753
H3	1.0937	2.1766		3.0866	2.0096	2.6533	2.3667	2.8924
H4	2.1766	1.0937	3.0866		2.6533	2.0096	2.8924	2.3667
F5	1.3644	2.3331	2.0096	2.6533		2.6302	2.5716	3.9172
F6	2.3331	1.3644	2.6533	2.0096	2.6302		3.9172	2.5716
Cl7	1.7753	2.7249	2.3667	2.8924	2.5716	3.9172		3.3389
Cl8	2.7249	1.7753	2.8924	2.3667	3.9172	2.5716	3.3389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.165	C1	C2	F6	107.403
C1	C2	Cl8	110.940	C2	C1	H3	111.165
C2	C1	F5	107.403	C2	C1	Cl7	110.940
H3	C1	F5	109.183	H3	C1	Cl7	108.830
H4	C2	F6	109.183	H4	C2	Cl8	108.830
F5	C1	Cl7	109.282	F6	C2	Cl8	109.282

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

using model chemistry: QCISD(T)/6-311G*

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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