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	hartrees
Energy at 0K	-1195.649660
Energy at 298.15K	-1195.653233
HF Energy	-1194.716907
Nuclear repulsion energy	377.428537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3012	0.95
2	A	1451	1379	7.35
3	A	1358	1290	27.82
4	A	1179	1120	112.24
5	A	1126	1069	120.98
6	A	877	833	73.61
7	A	473	449	0.60
8	A	322	306	1.34
9	A	169	160	0.70
10	A	86	82	0.70
11	B	3182	3022	13.80
12	B	1391	1321	9.08
13	B	1288	1223	27.64
14	B	1140	1083	20.75
15	B	868	825	106.28
16	B	442	420	12.04
17	B	399	379	9.48
18	B	347	330	13.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.725	0.390
C2	0.231	-0.725	0.390
H3	-1.321	0.791	0.366
H4	1.321	-0.791	0.366
F5	0.231	1.279	1.553
F6	-0.231	-1.279	1.553
Cl7	0.433	1.620	-0.981
Cl8	-0.433	-1.620	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5217	1.0919	2.1697	1.3689	2.3171	1.7667	2.7238
C2	1.5217		2.1697	1.0919	2.3171	1.3689	2.7238	1.7667
H3	1.0919	2.1697		3.0793	2.0137	2.6234	2.3614	2.9015
H4	2.1697	1.0919	3.0793		2.6234	2.0137	2.9015	2.3614
F5	1.3689	2.3171	2.0137	2.6234		2.5995	2.5647	3.9074
F6	2.3171	1.3689	2.6234	2.0137	2.5995		3.9074	2.5647
Cl7	1.7667	2.7238	2.3614	2.9015	2.5647	3.9074		3.3541
Cl8	2.7238	1.7667	2.9015	2.3614	3.9074	2.5647	3.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.166	C1	C2	F6	106.445
C1	C2	Cl8	111.638	C2	C1	H3	111.166
C2	C1	F5	106.445	C2	C1	Cl7	111.638
H3	C1	F5	109.319	H3	C1	Cl7	109.104
H4	C2	F6	109.319	H4	C2	Cl8	109.104
F5	C1	Cl7	109.101	F6	C2	Cl8	109.101

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

using model chemistry: CCSD=FULL/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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