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	hartrees
Energy at 0K	-1195.578345
Energy at 298.15K	-1195.581907
HF Energy	-1194.716557
Nuclear repulsion energy	377.514156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3012	0.83
2	A	1444	1362	5.16
3	A	1360	1283	27.82
4	A	1171	1104	81.91
5	A	1117	1053	150.19
6	A	879	829	81.76
7	A	472	445	0.81
8	A	320	302	1.26
9	A	168	159	0.70
10	A	87	82	0.67
11	B	3204	3022	12.24
12	B	1389	1310	10.38
13	B	1289	1215	26.05
14	B	1122	1058	19.71
15	B	866	817	108.59
16	B	441	416	11.67
17	B	396	374	9.06
18	B	346	326	13.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.725	0.388
C2	0.231	-0.725	0.388
H3	-1.320	0.791	0.364
H4	1.320	-0.791	0.364
F5	0.231	1.279	1.556
F6	-0.231	-1.279	1.556
Cl7	0.432	1.615	-0.982
Cl8	-0.432	-1.615	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5214	1.0910	2.1690	1.3731	2.3194	1.7639	2.7192
C2	1.5214		2.1690	1.0910	2.3194	1.3731	2.7192	1.7639
H3	1.0910	2.1690		3.0778	2.0166	2.6255	2.3582	2.8966
H4	2.1690	1.0910	3.0778		2.6255	2.0166	2.8966	2.3582
F5	1.3731	2.3194	2.0166	2.6255		2.6000	2.5682	3.9066
F6	2.3194	1.3731	2.6255	2.0166	2.6000		3.9066	2.5682
Cl7	1.7639	2.7192	2.3582	2.8966	2.5682	3.9066		3.3444
Cl8	2.7192	1.7639	2.8966	2.3582	3.9066	2.5682	3.3444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.182	C1	C2	F6	106.399
C1	C2	Cl8	111.512	C2	C1	H3	111.182
C2	C1	F5	106.399	C2	C1	Cl7	111.512
H3	C1	F5	109.317	H3	C1	Cl7	109.096
H4	C2	F6	109.317	H4	C2	Cl8	109.096
F5	C1	Cl7	109.273	F6	C2	Cl8	109.273

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

using model chemistry: MP2/6-31G*

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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