***,test
memory,1000,m
GDIRECT;
geometry={
Sb01
F02 1 r02
F03 1 r03 2 a03
F04 1 r04 2 a04 3 b04
F05 1 r05 2 a05 4 b05
F06 1 r06 2 a06 5 b06
F07 1 r07 3 a07 4 b07
O08 1 r08 2 a08 4 b08
He09 8 r09 1 a09 3 b09
Xe10 8 r10 1 a10 3 b10
F11 8 r11 1 a11 4 b11
F12 10 r12 1 a12 4 b12
Mg13 11 r13 1 a13 4 b13
F14 13 r14 1 a14 4 b14
}
R02= 1.89031763 Angstrom;
R03= 1.89836458 Angstrom;
R04= 1.99732971 Angstrom;
R05= 1.98515264 Angstrom;
R06= 1.88920639 Angstrom;
R07= 1.92666116 Angstrom;
R08= 4.66577007 Angstrom;
R09= 1.05913970 Angstrom;
R10= 2.27593745 Angstrom;
R11= 2.62643997 Angstrom;
R12= 1.93499478 Angstrom;
R13= 1.88766555 Angstrom;
R14= 1.78647911 Angstrom;
A03= 94.02557297;
A04= 88.93398891;
A05= 89.54209595;
A06= 94.11840698;
A07= 89.17054920;
A08=153.34498382;
A09= 58.43026385;
A10= 68.58840694;
A11= 57.39105492;
A12=101.42657132;
A13= 53.90616019;
A14=133.50408897;
B04=-90.11741834;
B05=-77.39274895;
B06=-93.15467522;
B07= 84.99543847;
B08=-19.00263487;
B09=211.47347535;
B10=-31.63103052;
B11=-45.57700489;
B12= 74.22395139;
B13=-61.81050375;
B14=-86.24263163;
basis={
! F2,3,5,6,14
default = aug-cc-pvdz
Sb01 = aug-cc-pvdz-pp
O08 = aug-cc-pvtz
He09 = aug-cc-pvtz
Xe10 = aug-cc-pvtz-pp
F12 = aug-cc-pvtz
set,myjkbas,context=jkfit
default = aug-cc-pvdz
Sb01 = Def2-TZVPP
Mg13 = Def2-TZVPP
O08 = aug-cc-pvtz
He09 = Def2-TZVPP
Xe10 = Def2-TZVPP
F12 = aug-cc-pvtz
set,mydfbas,context=mp2fit
default = aug-cc-pvdz
Sb01 = Def2-TZVPP
O08 = aug-cc-pvtz
He09 = aug-cc-pvtz
Xe10 = Def2-TZVPP
F12 = aug-cc-pvtz
}
{DF-HF,DF_BASIS=myjkbas;}
{df-lmp2,df_basis=mydfbas,SCSGRD=1;
core,11;occ,76;}
---