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	hartrees
Energy at 0K	-89.241748
Energy at 298.15K	-89.245484
HF Energy	-89.241748
Nuclear repulsion energy	137.202022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3027	0.72
2	A	1560	1409	15.57
3	A	1435	1297	31.77
4	A	1249	1129	256.39
5	A	1169	1056	97.49
6	A	912	824	98.69
7	A	494	446	0.87
8	A	335	302	1.94
9	A	176	159	0.83
10	A	83	75	0.90
11	B	3360	3036	21.47
12	B	1480	1337	11.31
13	B	1356	1225	47.62
14	B	1212	1095	37.89
15	B	905	818	140.09
16	B	468	423	18.05
17	B	421	381	9.26
18	B	358	323	15.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.735	0.396
C2	0.223	-0.735	0.396
H3	-1.297	0.826	0.351
H4	1.297	-0.826	0.351
F5	0.223	1.292	1.540
F6	-0.223	-1.292	1.540
Cl7	0.480	1.617	-0.975
Cl8	-0.480	-1.617	-0.975

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5357	1.0787	2.1783	1.3484	2.3276	1.7753	2.7344
C2	1.5357		2.1783	1.0787	2.3276	1.3484	2.7344	1.7753
H3	1.0787	2.1783		3.0743	1.9848	2.6555	2.3542	2.8969
H4	2.1783	1.0787	3.0743		2.6555	1.9848	2.8969	2.3542
F5	1.3484	2.3276	1.9848	2.6555		2.6223	2.5493	3.9094
F6	2.3276	1.3484	2.6555	1.9848	2.6223		3.9094	2.5493
Cl7	1.7753	2.7344	2.3542	2.8969	2.5493	3.9094		3.3733
Cl8	2.7344	1.7753	2.8969	2.3542	3.9094	2.5493	3.3733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.666	C1	C2	F6	107.444
C1	C2	Cl8	111.145	C2	C1	H3	111.666
C2	C1	F5	107.444	C2	C1	Cl7	111.145
H3	C1	F5	109.217	H3	C1	Cl7	108.682
H4	C2	F6	109.217	H4	C2	Cl8	108.682
F5	C1	Cl7	108.623	F6	C2	Cl8	108.623

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

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	C	0.226
2	C	0.226
3	H	0.210
4	H	0.210
5	F	-0.300
6	F	-0.300
7	Cl	-0.136
8	Cl	-0.136

	x	y	z
x	5.197	0.691	0.000
y	0.691	6.418	0.000
z	0.000	0.000	6.904

<r²>	151.032
(<r²>)^1/2	12.290