! 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  -3.1924145820  -0.1646583203  -0.0907544077
F    2.2591994801  -3.8359603596   0.5647626979
O   -0.7822276723   1.6794321608   0.9217428091
N    1.7306723031   2.0343434719  -0.6398198574
N    1.9421517121   2.5336670914   0.5837842560
N    3.8263484170   1.6315746707  -0.2230774494
C   -1.8199189489   0.7852362099  -1.0016188815
C   -0.4907243133   1.0145027106  -0.2868907830
C    0.3937327499   1.9208299063  -1.1725260501
C   -4.5894146566  -0.3013379309  -1.3516851237
C   -3.8359028551   0.7535282196   1.4211931382
C   -2.6569159627  -1.9004028804   0.4091353599
C    0.2461598554  -0.2971829895  -0.0413862012
C    0.5807063851  -1.1248854526  -1.1121590881
C    0.6238850377  -0.6915573109   1.2363908279
C    1.2574758219  -2.3183207599  -0.9205616615
C    1.3031845160  -1.8838310291   1.4512619563
C    2.8542140396   1.4839247883  -1.0931632440
C    1.6056260912  -2.6781603143   0.3665294214
C    3.2095413159   2.2714353335   0.7845235524
H   -2.2365662226   1.7571167462  -1.2929870503
H   -1.6429628992   0.2550698749  -1.9421080922
H   -0.0530608579   2.9128740316  -1.2480943335
H    0.4784424252   1.5202573982  -2.1807088100
H   -5.4555844163  -0.8207389422  -0.9363272846
H   -4.2757753851  -0.8522059003  -2.2411597977
H   -4.9282864054   0.6829741561  -1.6823615272
H   -4.7183746957   0.2511152371   1.8240311640
H   -4.1283647737   1.7767908798   1.1769803833
H   -3.0942748442   0.8035011978   2.2179210704
H   -3.5221700823  -2.4791062270   0.7423313497
H   -1.9349281797  -1.8931116081   1.2264237591
H   -2.2023855393  -2.4426936490  -0.4221704766
H    0.0381038635   2.0624643557   1.2693020320
H    0.3128977205  -0.8500172634  -2.1251185300
H    0.3773439753  -0.0820848145   2.0942450455
H    1.5090248501  -2.9544352327  -1.7588932394
H    1.5872402721  -2.1863000287   2.4507254343
H    2.9253403539   1.0092554897  -2.0587663883
H    3.7094043438   2.5623201177   1.6948747213
*
