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	hartrees
Energy at 0K	-1195.859170
Energy at 298.15K	-1195.862713
HF Energy	-1194.746066
Nuclear repulsion energy	379.370337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	2992	0.50
2	A	1423	1344	10.41
3	A	1318	1245	11.72
4	A	1174	1108	160.01
5	A	1108	1047	79.97
6	A	863	815	74.16
7	A	469	443	1.03
8	A	315	297	1.12
9	A	166	157	0.51
10	A	84	80	0.61
11	B	3180	3004	8.44
12	B	1371	1295	6.83
13	B	1245	1176	26.45
14	B	1137	1074	19.19
15	B	853	806	95.76
16	B	439	414	9.69
17	B	394	373	6.54
18	B	336	317	11.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.729	0.397
C2	0.223	-0.729	0.397
H3	-1.309	0.808	0.342
H4	1.309	-0.808	0.342
F5	0.223	1.282	1.547
F6	-0.223	-1.282	1.547
Cl7	0.476	1.587	-0.979
Cl8	-0.476	-1.587	-0.979

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5241	1.0906	2.1702	1.3517	2.3168	1.7652	2.7050
C2	1.5241		2.1702	1.0906	2.3168	1.3517	2.7050	1.7652
H3	1.0906	2.1702		3.0763	2.0056	2.6457	2.3532	2.8585
H4	2.1702	1.0906	3.0763		2.6457	2.0056	2.8585	2.3532
F5	1.3517	2.3168	2.0056	2.6457		2.6033	2.5562	3.8855
F6	2.3168	1.3517	2.6457	2.0056	2.6033		3.8855	2.5562
Cl7	1.7652	2.7050	2.3532	2.8585	2.5562	3.8855		3.3130
Cl8	2.7050	1.7652	2.8585	2.3532	3.8855	2.5562	3.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.116	C1	C2	F6	107.185
C1	C2	Cl8	110.431	C2	C1	H3	111.116
C2	C1	F5	107.185	C2	C1	Cl7	110.431
H3	C1	F5	109.949	H3	C1	Cl7	108.668
H4	C2	F6	109.949	H4	C2	Cl8	108.668
F5	C1	Cl7	109.476	F6	C2	Cl8	109.476

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

using model chemistry: MP2/6-31G(2df,p)

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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