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	hartrees
Energy at 0K	-1193.845332
Energy at 298.15K	-1193.848736
HF Energy	-1193.845332
Nuclear repulsion energy	379.617594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3018	2962	0.21
2	A	1358	1333	21.85
3	A	1250	1227	7.70
4	A	1157	1135	229.88
5	A	1088	1068	27.67
6	A	824	809	83.27
7	A	455	447	3.25
8	A	305	299	1.01
9	A	159	156	0.70
10	A	80	78	0.58
11	B	3031	2974	13.01
12	B	1298	1274	5.01
13	B	1184	1161	24.61
14	B	1142	1120	24.24
15	B	812	797	102.95
16	B	430	422	9.45
17	B	380	373	6.58
18	B	322	316	12.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.219	0.725	0.399
C2	0.219	-0.725	0.399
H3	-1.320	0.802	0.330
H4	1.320	-0.802	0.330
F5	0.219	1.270	1.550
F6	-0.219	-1.270	1.550
Cl7	0.483	1.583	-0.981
Cl8	-0.483	-1.583	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5144	1.1058	2.1691	1.3469	2.3030	1.7704	2.7016
C2	1.5144		2.1691	1.1058	2.3030	1.3469	2.7016	1.7704
H3	1.1058	2.1691		3.0892	2.0193	2.6444	2.3625	2.8468
H4	2.1691	1.1058	3.0892		2.6444	2.0193	2.8468	2.3625
F5	1.3469	2.3030	2.0193	2.6444		2.5780	2.5635	3.8778
F6	2.3030	1.3469	2.6444	2.0193	2.5780		3.8778	2.5635
Cl7	1.7704	2.7016	2.3625	2.8468	2.5635	3.8778		3.3097
Cl8	2.7016	1.7704	2.8468	2.3625	3.8778	2.5635	3.3097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.791	C1	C2	F6	107.057
C1	C2	Cl8	110.421	C2	C1	H3	110.791
C2	C1	F5	107.057	C2	C1	Cl7	110.421
H3	C1	F5	110.453	H3	C1	Cl7	108.223
H4	C2	F6	110.453	H4	C2	Cl8	108.223
F5	C1	Cl7	109.904	F6	C2	Cl8	109.904

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	-0.001
2	C	-0.001
3	H	0.198
4	H	0.198
5	F	-0.199
6	F	-0.199
7	Cl	0.002
8	Cl	0.002

	x	y	z	Total
	0.000	0.000	0.142	0.142
CHELPG
AIM
ESP

	x	y	z
x	5.181	0.745	0.000
y	0.745	6.575	0.000
z	0.000	0.000	7.006

<r²>	242.329
(<r²>)^1/2	15.567