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	hartrees
Energy at 0K	-1195.636694
Energy at 298.15K	-1195.640266
HF Energy	-1194.720138
Nuclear repulsion energy	376.951358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3013	0.79
2	A	1453	1368	7.29
3	A	1359	1279	30.86
4	A	1176	1107	109.87
5	A	1119	1054	125.10
6	A	873	822	73.72
7	A	470	443	0.71
8	A	321	302	1.30
9	A	168	158	0.70
10	A	85	80	0.64
11	B	3211	3023	17.15
12	B	1392	1311	8.80
13	B	1288	1212	32.75
14	B	1133	1067	19.53
15	B	864	813	106.81
16	B	441	415	11.96
17	B	396	373	8.85
18	B	344	324	12.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.727	0.388
C2	0.229	-0.727	0.388
H3	-1.314	0.796	0.357
H4	1.314	-0.796	0.357
F5	0.229	1.281	1.556
F6	-0.229	-1.281	1.556
Cl7	0.443	1.621	-0.982
Cl8	-0.443	-1.621	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5237	1.0875	2.1677	1.3709	2.3220	1.7689	2.7265
C2	1.5237		2.1677	1.0875	2.3220	1.3709	2.7265	1.7689
H3	1.0875	2.1677		3.0721	2.0131	2.6317	2.3581	2.8965
H4	2.1677	1.0875	3.0721		2.6317	2.0131	2.8965	2.3581
F5	1.3709	2.3220	2.0131	2.6317		2.6018	2.5693	3.9127
F6	2.3220	1.3709	2.6317	2.0131	2.6018		3.9127	2.5693
Cl7	1.7689	2.7265	2.3581	2.8965	2.5693	3.9127		3.3605
Cl8	2.7265	1.7689	2.8965	2.3581	3.9127	2.5693	3.3605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.131	C1	C2	F6	106.560
C1	C2	Cl8	111.581	C2	C1	H3	111.131
C2	C1	F5	106.560	C2	C1	Cl7	111.581
H3	C1	F5	109.401	H3	C1	Cl7	108.940
H4	C2	F6	109.401	H4	C2	Cl8	108.940
F5	C1	Cl7	109.173	F6	C2	Cl8	109.173

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

using model chemistry: QCISD/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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