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	hartrees
Energy at 0K	-1195.878506
Energy at 298.15K	-1195.882112
HF Energy	-1194.876608
Nuclear repulsion energy	377.186182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3016	0.18
2	A	1457	1381	11.40
3	A	1353	1283	17.18
4	A	1177	1116	169.72
5	A	1107	1050	97.02
6	A	869	824	73.26
7	A	474	449	0.37
8	A	319	303	1.46
9	A	172	163	0.68
10	A	83	78	0.67
11	B	3193	3027	11.09
12	B	1402	1330	6.94
13	B	1287	1220	31.28
14	B	1139	1080	27.38
15	B	864	820	93.72
16	B	447	424	14.77
17	B	403	382	8.72
18	B	343	325	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.731	0.398
C2	0.220	-0.731	0.398
H3	-1.302	0.815	0.348
H4	1.302	-0.815	0.348
F5	0.220	1.297	1.551
F6	-0.220	-1.297	1.551
Cl7	0.481	1.602	-0.982
Cl8	-0.481	-1.602	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5264	1.0868	2.1701	1.3578	2.3327	1.7762	2.7228
C2	1.5264		2.1701	1.0868	2.3327	1.3578	2.7228	1.7762
H3	1.0868	2.1701		3.0726	1.9989	2.6605	2.3602	2.8784
H4	2.1701	1.0868	3.0726		2.6605	1.9989	2.8784	2.3602
F5	1.3578	2.3327	1.9989	2.6605		2.6310	2.5649	3.9130
F6	2.3327	1.3578	2.6605	1.9989	2.6310		3.9130	2.5649
Cl7	1.7762	2.7228	2.3602	2.8784	2.5649	3.9130		3.3449
Cl8	2.7228	1.7762	2.8784	2.3602	3.9130	2.5649	3.3449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.173	C1	C2	F6	107.814
C1	C2	Cl8	110.840	C2	C1	H3	111.173
C2	C1	F5	107.814	C2	C1	Cl7	110.840
H3	C1	F5	109.208	H3	C1	Cl7	108.648
H4	C2	F6	109.208	H4	C2	Cl8	108.648
F5	C1	Cl7	109.123	F6	C2	Cl8	109.123

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

using model chemistry: CCD/TZVP

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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