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	hartrees
Energy at 0K	-89.099863
Energy at 298.15K	-89.103457
HF Energy	-89.099863
Nuclear repulsion energy	134.339153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3355	3062	0.19
2	A	1524	1391	7.04
3	A	1405	1282	22.76
4	A	1225	1118	66.77
5	A	1115	1017	222.47
6	A	865	789	89.58
7	A	464	424	0.74
8	A	318	291	2.52
9	A	170	155	1.60
10	A	75	68	1.53
11	B	3364	3070	4.95
12	B	1435	1310	8.97
13	B	1351	1233	36.79
14	B	1120	1022	25.08
15	B	851	776	135.29
16	B	439	400	26.76
17	B	395	360	14.35
18	B	349	318	22.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	0.727	0.410
C2	0.240	-0.727	0.410
H3	-1.312	0.813	0.391
H4	1.312	-0.813	0.391
F5	0.240	1.321	1.580
F6	-0.240	-1.321	1.580
Cl7	0.443	1.655	-1.004
Cl8	-0.443	-1.655	-1.004

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5306	1.0750	2.1863	1.3969	2.3578	1.8249	2.7776
C2	1.5306		2.1863	1.0750	2.3578	1.3969	2.7776	1.8249
H3	1.0750	2.1863		3.0866	2.0198	2.6674	2.3947	2.9654
H4	2.1863	1.0750	3.0866		2.6674	2.0198	2.9654	2.3947
F5	1.3969	2.3578	2.0198	2.6674		2.6849	2.6131	4.0000
F6	2.3578	1.3969	2.6674	2.0198	2.6849		4.0000	2.6131
Cl7	1.8249	2.7776	2.3947	2.9654	2.6131	4.0000		3.4273
Cl8	2.7776	1.8249	2.9654	2.3947	4.0000	2.6131	3.4273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.919	C1	C2	F6	107.205
C1	C2	Cl8	111.442	C2	C1	H3	112.919
C2	C1	F5	107.205	C2	C1	Cl7	111.442
H3	C1	F5	108.895	H3	C1	Cl7	108.556
H4	C2	F6	108.895	H4	C2	Cl8	108.556
F5	C1	Cl7	107.661	F6	C2	Cl8	107.661

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	-0.000
2	C	-0.000
3	H	0.233
4	H	0.233
5	F	-0.274
6	F	-0.274
7	Cl	0.041
8	Cl	0.041

	x	y	z	Total
	0.000	0.000	-0.932	0.932
CHELPG
AIM
ESP

	x	y	z
x	4.382	0.911	0.000
y	0.911	5.772	0.000
z	0.000	0.000	7.006

<r²>	157.484
(<r²>)^1/2	12.549