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	hartrees
Energy at 0K	-1197.435324
Energy at 298.15K	-1197.438506
HF Energy	-1197.435324
Nuclear repulsion energy	365.153716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3078	0.00
2	A	1380	1327	2.25
3	A	1278	1228	6.04
4	A	1114	1071	30.82
5	A	997	959	192.55
6	A	773	743	89.73
7	A	419	403	2.48
8	A	288	277	1.44
9	A	158	152	1.35
10	A	68	66	1.06
11	B	3211	3087	7.86
12	B	1314	1264	4.74
13	B	1225	1178	17.98
14	B	990	952	24.94
15	B	753	724	91.99
16	B	395	380	17.38
17	B	353	339	13.71
18	B	318	306	11.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.724	0.433
C2	0.249	-0.724	0.433
H3	-1.336	0.805	0.426
H4	1.336	-0.805	0.426
F5	0.249	1.347	1.610
F6	-0.249	-1.347	1.610
Cl7	0.410	1.654	-1.030
Cl8	-0.410	-1.654	-1.030

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5311	1.0901	2.2025	1.4221	2.3819	1.8553	2.7969
C2	1.5311		2.2025	1.0901	2.3819	1.4221	2.7969	1.8553
H3	1.0901	2.2025		3.1200	2.0520	2.6862	2.4272	3.0042
H4	2.2025	1.0901	3.1200		2.6862	2.0520	3.0042	2.4272
F5	1.4221	2.3819	2.0520	2.6862		2.7392	2.6635	4.0514
F6	2.3819	1.4221	2.6862	2.0520	2.7392		4.0514	2.6635
Cl7	1.8553	2.7969	2.4272	3.0042	2.6635	4.0514		3.4085
Cl8	2.7969	1.8553	3.0042	2.4272	4.0514	2.6635	3.4085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.265	C1	C2	F6	107.466
C1	C2	Cl8	111.006	C2	C1	H3	113.265
C2	C1	F5	107.466	C2	C1	Cl7	111.006
H3	C1	F5	108.810	H3	C1	Cl7	108.160
H4	C2	F6	108.810	H4	C2	Cl8	108.160
F5	C1	Cl7	107.991	F6	C2	Cl8	107.991

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

using model chemistry: B3LYP/SDD

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	-0.107
2	C	-0.107
3	H	0.286
4	H	0.286
5	F	-0.194
6	F	-0.194
7	Cl	0.015
8	Cl	0.015

	x	y	z	Total
	0.000	0.000	-0.804	0.804
CHELPG
AIM
ESP

	x	y	z
x	3.937	0.874	0.000
y	0.874	5.574	0.000
z	0.000	0.000	7.075

<r²>	260.802
(<r²>)^1/2	16.149