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	hartrees
Energy at 0K	-1189.376220
Energy at 298.15K	-1189.379374
HF Energy	-1188.830640
Nuclear repulsion energy	364.060455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3074	1.12
2	A	1430	1386	3.34
3	A	1294	1254	22.15
4	A	1138	1103	125.51
5	A	1051	1018	40.90
6	A	745	722	60.39
7	A	391	379	5.15
8	A	276	268	0.97
9	A	152	147	1.68
10	A	75	72	0.97
11	B	3185	3087	3.25
12	B	1360	1318	1.79
13	B	1238	1199	35.96
14	B	1103	1069	3.39
15	B	725	703	103.14
16	B	393	381	18.30
17	B	343	332	14.65
18	B	309	300	10.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.726	0.446
C2	0.234	-0.726	0.446
H3	-1.314	0.822	0.350
H4	1.314	-0.822	0.350
F5	0.234	1.327	1.619
F6	-0.234	-1.327	1.619
Cl7	0.537	1.632	-1.035
Cl8	-0.537	-1.632	-1.035

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5248	1.0887	2.1910	1.3986	2.3640	1.8998	2.8006
C2	1.5248		2.1910	1.0887	2.3640	1.3986	2.8006	1.8998
H3	1.0887	2.1910		3.0999	2.0645	2.7192	2.4496	2.9230
H4	2.1910	1.0887	3.0999		2.7192	2.0645	2.9230	2.4496
F5	1.3986	2.3640	2.0645	2.7192		2.6949	2.6884	4.0488
F6	2.3640	1.3986	2.7192	2.0645	2.6949		4.0488	2.6884
Cl7	1.8998	2.8006	2.4496	2.9230	2.6884	4.0488		3.4360
Cl8	2.8006	1.8998	2.9230	2.4496	4.0488	2.6884	3.4360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.871	C1	C2	F6	107.847
C1	C2	Cl8	109.243	C2	C1	H3	112.871
C2	C1	F5	107.847	C2	C1	Cl7	109.243
H3	C1	F5	111.591	H3	C1	Cl7	106.953
H4	C2	F6	111.591	H4	C2	Cl8	106.953
F5	C1	Cl7	108.229	F6	C2	Cl8	108.229

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

using model chemistry: QCISD/3-21G

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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