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	hartrees
Energy at 0K	-1183.177596
Energy at 298.15K	-1183.180579
HF Energy	-1183.177596
Nuclear repulsion energy	364.544296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3332	2943	0.48
2	A	1460	1290	16.35
3	A	1330	1174	24.37
4	A	1256	1109	108.23
5	A	1057	933	3.72
6	A	850	751	48.97
7	A	460	406	6.36
8	A	270	238	0.12
9	A	140	124	0.69
10	A	55	48	1.34
11	B	3339	2948	0.23
12	B	1414	1249	10.98
13	B	1259	1112	28.88
14	B	1257	1110	4.87
15	B	847	748	73.97
16	B	440	389	11.73
17	B	379	335	5.53
18	B	303	267	11.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.192	0.776	0.422
C2	0.192	-0.776	0.422
H3	-1.285	0.908	0.228
H4	1.285	-0.908	0.228
F5	0.192	1.355	1.608
F6	-0.192	-1.355	1.608
Cl7	0.679	1.581	-1.014
Cl8	-0.679	-1.581	-1.014

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5990	1.1181	2.2484	1.3741	2.4389	1.8623	2.8029
C2	1.5990		2.2484	1.1181	2.4389	1.3741	2.8029	1.8623
H3	1.1181	2.2484		3.1469	2.0702	2.8675	2.4187	2.8470
H4	2.2484	1.1181	3.1469		2.8675	2.0702	2.8470	2.4187
F5	1.3741	2.4389	2.0702	2.8675		2.7370	2.6762	4.0315
F6	2.4389	1.3741	2.8675	2.0702	2.7370		4.0315	2.6762
Cl7	1.8623	2.8029	2.4187	2.8470	2.6762	4.0315		3.4414
Cl8	2.8029	1.8623	2.8470	2.4187	4.0315	2.6762	3.4414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.431	C1	C2	F6	109.998
C1	C2	Cl8	107.912	C2	C1	H3	110.431
C2	C1	F5	109.998	C2	C1	Cl7	107.912
H3	C1	F5	111.922	H3	C1	Cl7	105.768
H4	C2	F6	111.922	H4	C2	Cl8	105.768
F5	C1	Cl7	110.663	F6	C2	Cl8	110.663

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

using model chemistry: HSEh1PBE/STO-3G

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	0.081
2	C	0.081
3	H	0.127
4	H	0.127
5	F	-0.047
6	F	-0.047
7	Cl	-0.161
8	Cl	-0.161

	x	y	z	Total
	0.000	0.000	2.338	2.338
CHELPG
AIM
ESP

	x	y	z
x	2.376	0.820	0.000
y	0.820	2.979	0.000
z	0.000	0.000	4.377

<r²>	258.658
(<r²>)^1/2	16.083