! 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   0.4404354030   0.6967830400   0.9575839646
F    5.7867247947  -1.3564824878  -0.8131769178
F   -3.9897615426  -3.0489694395  -0.5536363015
N   -1.3029550755   2.3484558437  -0.4814138924
N   -2.2771716956   2.7441405086   0.3380762731
N   -3.1409027098   1.9436357375  -1.5723748622
C    0.0762267385   2.2873593412  -0.0554368573
C    2.1208547495   0.0646082295   0.4126846523
C   -0.9109482055  -0.5297404218   0.5101203183
C    0.4136475104   1.0597172184   2.7929171089
C    3.0528457194  -0.4173215348   1.3345061247
C   -2.1387880822  -0.4920812605   1.1768888122
C    2.4769932701   0.0488344302  -0.9394371517
C   -0.7611860200  -1.4549848984  -0.5247575333
C    4.2913935682  -0.8987514533   0.9336299112
C   -3.1835200374  -1.3338307858   0.8263436205
C    3.7062868823  -0.4301473719  -1.3658548387
C   -1.7902187623  -2.3100343286  -0.8922347288
C   -1.8301190157   1.8576458528  -1.5996092005
C    4.5921440948  -0.8954319351  -0.4138934723
C   -2.9860273748  -2.2277044883  -0.2071134715
C   -3.3546046316   2.4857740142  -0.3633340554
H    0.3040825025   3.1837473936   0.5218494730
H    0.7009626087   2.3363092649  -0.9478457105
H    1.1753806883   1.7929584371   3.0623585119
H   -0.5492411623   1.4692377094   3.1023553265
H    0.5886082446   0.1610784955   3.3864990990
H    2.8240150832  -0.4215032862   2.3931950368
H   -2.3010802385   0.2018803439   1.9920278882
H    1.7923265103   0.4167091774  -1.6950298905
H    0.1758721811  -1.5285280657  -1.0633764621
H    5.0079092724  -1.2667113056   1.6561190342
H   -4.1301203401  -1.2973518268   1.3493721822
H    3.9693847217  -0.4368218025  -2.4153814049
H   -1.6623389074  -3.0256692979  -1.6937678079
H   -1.2295559300   1.4687530216  -2.4068460991
H   -4.3392721278   2.7117788640   0.0147926477
*