! 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   0.4405512973   0.6950171951   0.7919835640
F    5.8840317888  -1.4673866884  -0.4579370011
F   -4.0052059681  -2.9783664028  -0.7784481811
N   -1.3454864391   2.3654241935  -0.4898939986
N   -1.9737347891   1.7722404212  -1.5053939507
N   -3.4633880388   2.6619769312  -0.0828239757
C    0.0859079855   2.2303087752  -0.2994956528
C    2.1387283206   0.0227067552   0.3793681293
C   -0.8846053813  -0.5581809102   0.3786403153
C    0.3174344746   1.2207396646   2.5864046646
C    2.4472922159  -1.3210448143   0.6039232498
C   -0.7818346205  -1.3770113170  -0.7475935390
C    3.1428611291   0.8451273464  -0.1347621754
C   -2.0729664562  -0.5978171574   1.1088804419
C    3.7049480915  -1.8351423836   0.3263187368
C   -1.8219399878  -2.2031136008  -1.1428794956
C    4.4094609758   0.3553431572  -0.4190672558
C   -3.1332446770  -1.4073473334   0.7279317039
C   -2.2414364956   2.8736654653   0.3530943231
C    4.6642206119  -0.9811783756  -0.1824036794
C   -2.9850460004  -2.1928541247  -0.3971766741
C   -3.2340722051   1.9788922135  -1.2153988798
H    0.4577987358   3.1444208035   0.1658926617
H    0.5470571303   2.1623318677  -1.2838003636
H    1.1127567708   1.9279715571   2.8293227584
H   -0.6303772750   1.7114302614   2.8165191896
H    0.4182409706   0.3690854406   3.2609241691
H    1.6974176104  -1.9960710511   0.9984809664
H    0.1230645792  -1.3752213918  -1.3433965902
H    2.9521968846   1.8942077254  -0.3268112906
H   -2.1953103532   0.0144497366   1.9939611479
H    3.9304353485  -2.8786489929   0.5002110150
H   -1.7315738697  -2.8348268693  -2.0163709171
H    5.1793843320   1.0011188054  -0.8193735475
H   -4.0529950044  -1.4267089984   1.2969380303
H   -1.9642081332   3.4075084024   1.2482211593
H   -4.0214537746   1.6263067995  -1.8625863917
*
