! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Si  -0.0103551131   0.4690361736   1.4648795008
F    4.9370419644  -0.4010085364  -1.7964496099
F   -4.2350833534  -3.6024262295   0.2112754914
N   -0.6530844510   2.3417291706  -0.5019201181
N    0.3662191301   2.9291637551  -1.1294026662
N   -1.0817570958   2.0850274081  -2.6207322723
C   -0.6710790181   2.1838299177   0.9379924510
C    1.5363978551   0.1254550761   0.4648795728
C   -1.3274317691  -0.8047896736   1.0447432576
C    0.3530140168   0.5294375602   3.3003208192
C    2.8054206102   0.2782613670   1.0254462363
C   -2.6837047274  -0.5141635781   1.2179510553
C    1.4593728853  -0.2195159047  -0.8876757738
C   -0.9922800645  -2.0818992128   0.5888136329
C    3.9597483974   0.1017417817   0.2747666737
C   -3.6721924940  -1.4467462803   0.9413818283
C    2.5963562812  -0.3995590228  -1.6591795077
C   -1.9622661266  -3.0332182867   0.3058689222
C   -1.4968680569   1.8349606688  -1.3987872711
C    3.8291972602  -0.2314736751  -1.0583801561
C   -3.2881087576  -2.6929501422   0.4861454005
C    0.0622167197   2.7483541596  -2.3906319648
H   -1.6845668639   2.3632045581   1.3002467185
H   -0.0522559775   2.9721445364   1.3653200759
H   -0.5587398884   0.7246883383   3.8676231360
H    0.7668123352  -0.4137918228   3.6598394869
H    1.0626520686   1.3222796343   3.5436627908
H    2.9151546919   0.5414390084   2.0704187892
H   -2.9976677058   0.4591575469   1.5760942322
H    0.4962996516  -0.3599703756  -1.3645590380
H    0.0453437457  -2.3563635342   0.4435450806
H    4.9383203272   0.2224003642   0.7202413640
H   -4.7183217568  -1.2065857388   1.0771026928
H    2.5242781281  -0.6648995496  -2.7056837755
H   -1.6891564126  -4.0184291797  -0.0483956431
H   -2.4025075268   1.3167286032  -1.1254986092
H    0.6975741206   3.1220490404  -3.1781321436
*
