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	hartrees
Energy at 0K	-1195.985918
Energy at 298.15K	-1195.989542
HF Energy	-1194.843178
Nuclear repulsion energy	378.749464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3021	0.55
2	A	1441	1367	11.21
3	A	1353	1283	17.51
4	A	1167	1107	115.51
5	A	1105	1048	148.01
6	A	877	832	83.91
7	A	478	453	0.51
8	A	323	307	1.39
9	A	175	166	0.76
10	A	86	82	0.55
11	B	3195	3031	14.85
12	B	1392	1320	11.60
13	B	1276	1210	34.71
14	B	1117	1060	23.26
15	B	870	826	104.51
16	B	445	422	11.72
17	B	405	385	8.31
18	B	343	326	11.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.728	0.395
C2	0.223	-0.728	0.395
H3	-1.309	0.800	0.356
H4	1.309	-0.800	0.356
F5	0.223	1.293	1.550
F6	-0.223	-1.293	1.550
Cl7	0.455	1.593	-0.981
Cl8	-0.455	-1.593	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5226	1.0890	2.1642	1.3615	2.3276	1.7610	2.7074
C2	1.5226		2.1642	1.0890	2.3276	1.3615	2.7074	1.7610
H3	1.0890	2.1642		3.0685	2.0045	2.6426	2.3517	2.8705
H4	2.1642	1.0890	3.0685		2.6426	2.0045	2.8705	2.3517
F5	1.3615	2.3276	2.0045	2.6426		2.6241	2.5592	3.8977
F6	2.3276	1.3615	2.6426	2.0045	2.6241		3.8977	2.5592
Cl7	1.7610	2.7074	2.3517	2.8705	2.5592	3.8977		3.3127
Cl8	2.7074	1.7610	2.8705	2.3517	3.8977	2.5592	3.3127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.841	C1	C2	F6	107.486
C1	C2	Cl8	110.875	C2	C1	H3	110.841
C2	C1	F5	107.486	C2	C1	Cl7	110.875
H3	C1	F5	109.264	H3	C1	Cl7	108.920
H4	C2	F6	109.264	H4	C2	Cl8	108.920
F5	C1	Cl7	109.423	F6	C2	Cl8	109.423

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

using model chemistry: MP2=FULL/6-311G**

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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