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	hartrees
Energy at 0K	-1194.747185
Energy at 298.15K	-1194.750942
HF Energy	-1194.747185
Nuclear repulsion energy	380.119490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	2988	1.39
2	A	1551	1404	13.45
3	A	1424	1289	18.50
4	A	1262	1142	239.82
5	A	1172	1061	57.80
6	A	903	817	93.37
7	A	493	446	1.58
8	A	338	306	1.63
9	A	177	160	0.57
10	A	86	78	0.80
11	B	3312	2999	14.00
12	B	1482	1342	9.85
13	B	1344	1217	40.35
14	B	1233	1116	26.50
15	B	893	809	134.84
16	B	472	428	14.27
17	B	422	382	7.12
18	B	360	326	12.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.217	0.730	0.394
C2	0.217	-0.730	0.394
H3	-1.290	0.820	0.334
H4	1.290	-0.820	0.334
F5	0.217	1.274	1.529
F6	-0.217	-1.274	1.529
Cl7	0.489	1.609	-0.968
Cl8	-0.489	-1.609	-0.968

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5235	1.0781	2.1626	1.3309	2.3028	1.7680	2.7202
C2	1.5235		2.1626	1.0781	2.3028	1.3309	2.7202	1.7680
H3	1.0781	2.1626		3.0566	1.9758	2.6383	2.3412	2.8698
H4	2.1626	1.0781	3.0566		2.6383	1.9758	2.8698	2.3412
F5	1.3309	2.3028	1.9758	2.6383		2.5842	2.5340	3.8783
F6	2.3028	1.3309	2.6383	1.9758	2.5842		3.8783	2.5340
Cl7	1.7680	2.7202	2.3412	2.8698	2.5340	3.8783		3.3623
Cl8	2.7202	1.7680	2.8698	2.3412	3.8783	2.5340	3.3623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.308	C1	C2	F6	107.365
C1	C2	Cl8	111.251	C2	C1	H3	111.308
C2	C1	F5	107.365	C2	C1	Cl7	111.251
H3	C1	F5	109.758	H3	C1	Cl7	108.239
H4	C2	F6	109.758	H4	C2	Cl8	108.239
F5	C1	Cl7	108.891	F6	C2	Cl8	108.891

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

using model chemistry: HF/6-31G(2df,p)

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	0.182
2	C	0.182
3	H	0.190
4	H	0.190
5	F	-0.234
6	F	-0.234
7	Cl	-0.138
8	Cl	-0.138

	x	y	z	Total
	0.000	0.000	-0.110	0.110
CHELPG
AIM
ESP

	x	y	z
x	5.571	0.700	0.000
y	0.700	6.903	0.000
z	0.000	0.000	7.000

<r²>	243.870
(<r²>)^1/2	15.616