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	hartrees
Energy at 0K	-1194.047050
Energy at 298.15K	-1194.050455
HF Energy	-1194.047050
Nuclear repulsion energy	381.247017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3002	2970	0.08
2	A	1329	1314	13.83
3	A	1220	1207	0.39
4	A	1127	1115	185.89
5	A	1071	1060	89.47
6	A	818	809	81.87
7	A	457	452	1.54
8	A	304	300	0.99
9	A	160	159	0.49
10	A	76	75	0.56
11	B	3017	2984	8.50
12	B	1268	1254	4.43
13	B	1165	1153	17.85
14	B	1096	1084	29.33
15	B	813	804	82.38
16	B	427	422	9.18
17	B	381	377	6.10
18	B	319	316	10.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.219	0.722	0.401
C2	0.219	-0.722	0.401
H3	-1.316	0.801	0.341
H4	1.316	-0.801	0.341
F5	0.219	1.287	1.545
F6	-0.219	-1.287	1.545
Cl7	0.479	1.559	-0.979
Cl8	-0.479	-1.559	-0.979

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5083	1.1018	2.1637	1.3485	2.3109	1.7593	2.6784
C2	1.5083		2.1637	1.1018	2.3109	1.3485	2.6784	1.7593
H3	1.1018	2.1637		3.0824	2.0106	2.6482	2.3540	2.8309
H4	2.1637	1.1018	3.0824		2.6482	2.0106	2.8309	2.3540
F5	1.3485	2.3109	2.0106	2.6482		2.6104	2.5519	3.8671
F6	2.3109	1.3485	2.6482	2.0106	2.6104		3.8671	2.5519
Cl7	1.7593	2.6784	2.3540	2.8309	2.5519	3.8671		3.2616
Cl8	2.6784	1.7593	2.8309	2.3540	3.8671	2.5519	3.2616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.021	C1	C2	F6	107.846
C1	C2	Cl8	109.872	C2	C1	H3	111.021
C2	C1	F5	107.846	C2	C1	Cl7	109.872
H3	C1	F5	109.872	H3	C1	Cl7	108.532
H4	C2	F6	109.872	H4	C2	Cl8	108.532
F5	C1	Cl7	109.689	F6	C2	Cl8	109.689

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

using model chemistry: LSDA/cc-pVTZ

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	0.067
2	C	0.067
3	H	0.127
4	H	0.127
5	F	-0.122
6	F	-0.122
7	Cl	-0.072
8	Cl	-0.072

	x	y	z	Total
	0.000	0.000	-0.247	0.247
CHELPG
AIM
ESP

	x	y	z
x	6.123	0.664	0.000
y	0.664	7.689	0.000
z	0.000	0.000	7.995

<r²>	240.323
(<r²>)^1/2	15.502