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	hartrees
Energy at 0K	-1197.155610
Energy at 298.15K	-1197.148433
HF Energy	-1197.493011
Nuclear repulsion energy	375.821648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3106	2997	0.39
2	A	1397	1348	9.67
3	A	1288	1243	9.12
4	A	1140	1101	209.85
5	A	1065	1028	45.15
6	A	813	785	89.11
7	A	448	432	3.23
8	A	310	299	1.26
9	A	161	156	0.50
10	A	74	71	0.61
11	B	3118	3009	12.12
12	B	1348	1301	5.99
13	B	1222	1179	32.71
14	B	1112	1073	20.96
15	B	799	772	105.87
16	B	434	419	10.93
17	B	382	368	6.00
18	B	325	314	9.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.216	0.736	0.399
C2	0.216	-0.736	0.399
H3	-1.300	0.835	0.320
H4	1.300	-0.835	0.320
F5	0.216	1.288	1.554
F6	-0.216	-1.288	1.554
Cl7	0.516	1.610	-0.983
Cl8	-0.516	-1.610	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5339	1.0919	2.1847	1.3509	2.3302	1.7913	2.7392
C2	1.5339		2.1847	1.0919	2.3302	1.3509	2.7392	1.7913
H3	1.0919	2.1847		3.0906	2.0068	2.6844	2.3655	2.8792
H4	2.1847	1.0919	3.0906		2.6844	2.0068	2.8792	2.3655
F5	1.3509	2.3302	2.0068	2.6844		2.6117	2.5748	3.9203
F6	2.3302	1.3509	2.6844	2.0068	2.6117		3.9203	2.5748
Cl7	1.7913	2.7392	2.3655	2.8792	2.5748	3.9203		3.3812
Cl8	2.7392	1.7913	2.8792	2.3655	3.9203	2.5748	3.3812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.313	C1	C2	F6	107.456
C1	C2	Cl8	112.456	C2	C1	H3	112.313
C2	C1	F5	107.456	C2	C1	Cl7	112.456
H3	C1	F5	108.870	H3	C1	Cl7	107.733
H4	C2	F6	108.870	H4	C2	Cl8	107.733
F5	C1	Cl7	107.879	F6	C2	Cl8	107.879

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

using model chemistry: G4

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	0.085
2	C	0.085
3	H	0.159
4	H	0.159
5	F	-0.101
6	F	-0.101
7	Cl	-0.143
8	Cl	-0.143

	x	y	z	Total
	0.000	0.000	0.099	0.099
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	247.790
(<r²>)^1/2	15.741