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	hartrees
Energy at 0K	-1196.240108
Energy at 298.15K	-1196.232968
HF Energy	-1194.718500
Nuclear repulsion energy	379.471700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3166	1.85
2	A	1568	1477	12.71
3	A	1451	1367	35.21
4	A	1261	1188	226.84
5	A	1187	1118	78.46
6	A	916	863	97.96
7	A	496	467	1.38
8	A	343	323	1.77
9	A	178	168	0.86
10	A	88	83	0.88
11	B	3371	3176	16.41
12	B	1496	1410	10.73
13	B	1374	1294	46.93
14	B	1230	1159	28.04
15	B	906	854	149.83
16	B	472	445	16.32
17	B	424	400	9.27
18	B	365	344	15.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.724	0.388
C2	0.231	-0.724	0.388
H3	-1.320	0.789	0.365
H4	1.320	-0.789	0.365
F5	0.231	1.279	1.554
F6	-0.231	-1.279	1.554
Cl7	0.430	1.613	-0.981
Cl8	-0.430	-1.613	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5196	1.0908	2.1669	1.3715	2.3170	1.7622	2.7160
C2	1.5196		2.1669	1.0908	2.3170	1.3715	2.7160	1.7622
H3	1.0908	2.1669		3.0756	2.0152	2.6220	2.3569	2.8936
H4	2.1669	1.0908	3.0756		2.6220	2.0152	2.8936	2.3569
F5	1.3715	2.3170	2.0152	2.6220		2.5989	2.5652	3.9024
F6	2.3170	1.3715	2.6220	2.0152	2.5989		3.9024	2.5652
Cl7	1.7622	2.7160	2.3569	2.8936	2.5652	3.9024		3.3389
Cl8	2.7160	1.7622	2.8936	2.3569	3.9024	2.5652	3.3389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.011	C1	C2	F6	106.622
C1	C2	Cl8	113.511	C2	C1	H3	113.011
C2	C1	F5	106.622	C2	C1	Cl7	113.511
H3	C1	F5	108.422	H3	C1	Cl7	107.844
H4	C2	F6	108.422	H4	C2	Cl8	107.844
F5	C1	Cl7	107.170	F6	C2	Cl8	107.170

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

using model chemistry: G2

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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