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	hartrees
Energy at 0K	-1195.643113
Energy at 298.15K	-1195.646626
HF Energy	-1194.716113
Nuclear repulsion energy	376.201240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3145	3017
2	A	1432	1374
3	A	1343	1288
4	A	1160	1113
5	A	1107	1062
6	A	861	826
7	A	464	445
8	A	316	304
9	A	166	159
10	A	85	81
11	B	3156	3027
12	B	1375	1319
13	B	1272	1220
14	B	1115	1070
15	B	849	814
16	B	436	418
17	B	391	375
18	B	342	328

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.726	0.392
C2	0.232	-0.726	0.392
H3	-1.324	0.794	0.366
H4	1.324	-0.794	0.366
F5	0.232	1.282	1.560
F6	-0.232	-1.282	1.560
Cl7	0.434	1.623	-0.985
Cl8	-0.434	-1.623	-0.985

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5255	1.0943	2.1760	1.3742	2.3235	1.7736	2.7312
C2	1.5255		2.1760	1.0943	2.3235	1.3742	2.7312	1.7736
H3	1.0943	2.1760		3.0879	2.0211	2.6318	2.3681	2.9091
H4	2.1760	1.0943	3.0879		2.6318	2.0211	2.9091	2.3681
F5	1.3742	2.3235	2.0211	2.6318		2.6062	2.5757	3.9197
F6	2.3235	1.3742	2.6318	2.0211	2.6062		3.9197	2.5757
Cl7	1.7736	2.7312	2.3681	2.9091	2.5757	3.9197		3.3610
Cl8	2.7312	1.7736	2.9091	2.3681	3.9197	2.5757	3.3610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.261	C1	C2	F6	106.391
C1	C2	Cl8	111.542	C2	C1	H3	111.261
C2	C1	F5	106.391	C2	C1	Cl7	111.542
H3	C1	F5	109.397	H3	C1	Cl7	109.022
H4	C2	F6	109.397	H4	C2	Cl8	109.022
F5	C1	Cl7	109.167	F6	C2	Cl8	109.167

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

using model chemistry: QCISD(T)/6-31G*

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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