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	hartrees
Energy at 0K	-1193.843084
Energy at 298.15K	-1193.846479
HF Energy	-1193.843084
Nuclear repulsion energy	379.609504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3027	2970	0.32
2	A	1367	1341	20.63
3	A	1263	1240	10.96
4	A	1158	1136	225.59
5	A	1092	1071	30.43
6	A	827	812	84.83
7	A	456	447	3.27
8	A	305	299	1.03
9	A	159	156	0.71
10	A	80	79	0.57
11	B	3040	2983	14.01
12	B	1309	1285	5.60
13	B	1196	1174	25.09
14	B	1141	1120	24.47
15	B	813	798	103.43
16	B	430	422	9.44
17	B	380	373	6.71
18	B	323	317	12.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.724	0.400
C2	0.220	-0.724	0.400
H3	-1.322	0.800	0.337
H4	1.322	-0.800	0.337
F5	0.220	1.270	1.550
F6	-0.220	-1.270	1.550
Cl7	0.477	1.584	-0.981
Cl8	-0.477	-1.584	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5146	1.1056	2.1694	1.3470	2.3024	1.7702	2.7024
C2	1.5146		2.1694	1.1056	2.3024	1.3470	2.7024	1.7702
H3	1.1056	2.1694		3.0899	2.0174	2.6400	2.3642	2.8522
H4	2.1694	1.1056	3.0899		2.6400	2.0174	2.8522	2.3642
F5	1.3470	2.3024	2.0174	2.6400		2.5783	2.5635	3.8782
F6	2.3024	1.3470	2.6400	2.0174	2.5783		3.8782	2.5635
Cl7	1.7702	2.7024	2.3642	2.8522	2.5635	3.8782		3.3089
Cl8	2.7024	1.7702	2.8522	2.3642	3.8782	2.5635	3.3089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.818	C1	C2	F6	106.994
C1	C2	Cl8	110.473	C2	C1	H3	110.818
C2	C1	F5	106.994	C2	C1	Cl7	110.473
H3	C1	F5	110.293	H3	C1	Cl7	108.366
H4	C2	F6	110.293	H4	C2	Cl8	108.366
F5	C1	Cl7	109.901	F6	C2	Cl8	109.901

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

using model chemistry: LSDA/6-31G*

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	-0.038
2	C	-0.038
3	H	0.231
4	H	0.231
5	F	-0.196
6	F	-0.196
7	Cl	0.003
8	Cl	0.003

	x	y	z	Total
	0.000	0.000	0.143	0.143
CHELPG
AIM
ESP

	x	y	z
x	5.151	0.742	0.000
y	0.742	6.554	0.000
z	0.000	0.000	6.991

<r²>	242.341
(<r²>)^1/2	15.567