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	hartrees
Energy at 0K	-1195.629128
Energy at 298.15K	-1195.632714
HF Energy	-1194.720222
Nuclear repulsion energy	378.111623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3001	0.70
2	A	1447	1352	6.16
3	A	1358	1269	29.18
4	A	1175	1097	91.88
5	A	1119	1045	141.24
6	A	879	821	78.36
7	A	473	442	0.77
8	A	322	301	1.24
9	A	169	158	0.70
10	A	87	81	0.62
11	B	3223	3011	15.11
12	B	1389	1298	9.48
13	B	1288	1204	29.96
14	B	1127	1053	19.07
15	B	868	811	106.29
16	B	443	413	11.10
17	B	398	372	8.71
18	B	345	323	12.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.724	0.388
C2	0.229	-0.724	0.388
H3	-1.313	0.791	0.357
H4	1.313	-0.791	0.357
F5	0.229	1.279	1.554
F6	-0.229	-1.279	1.554
Cl7	0.439	1.610	-0.981
Cl8	-0.439	-1.610	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5191	1.0868	2.1622	1.3705	2.3183	1.7615	2.7139
C2	1.5191		2.1622	1.0868	2.3183	1.3705	2.7139	1.7615
H3	1.0868	2.1622		3.0661	2.0125	2.6258	2.3516	2.8841
H4	2.1622	1.0868	3.0661		2.6258	2.0125	2.8841	2.3516
F5	1.3705	2.3183	2.0125	2.6258		2.5989	2.5649	3.9011
F6	2.3183	1.3705	2.6258	2.0125	2.5989		3.9011	2.5649
Cl7	1.7615	2.7139	2.3516	2.8841	2.5649	3.9011		3.3378
Cl8	2.7139	1.7615	2.8841	2.3516	3.9011	2.5649	3.3378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.050	C1	C2	F6	106.583
C1	C2	Cl8	111.422	C2	C1	H3	111.050
C2	C1	F5	106.583	C2	C1	Cl7	111.422
H3	C1	F5	109.422	H3	C1	Cl7	108.991
H4	C2	F6	109.422	H4	C2	Cl8	108.991
F5	C1	Cl7	109.323	F6	C2	Cl8	109.323

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

using model chemistry: MP2=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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