! 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   0.3653482830   0.5822568043   1.2702390930
F    5.5853769169  -1.0071296615  -1.2098675469
F   -4.1582206738  -2.9483046253  -0.4520049165
N   -1.1566008170   2.2747494273  -0.3706001102
N   -0.8719303152   1.7173081113  -1.5462771179
N   -3.0483110382   2.2414451856  -1.4436797672
C   -0.1791254005   2.3306708179   0.6909627777
C    1.9931076160   0.0889786866   0.4790301897
C   -1.0160782896  -0.5796133663   0.7571553533
C    0.5431766142   0.6402367146   3.1343793507
C    2.2203520867   0.2347166996  -0.8934171783
C   -0.8240100763  -1.6207150823  -0.1510135482
C    3.0261190519  -0.4389839349   1.2572529197
C   -2.3083995455  -0.3696732389   1.2468200719
C    3.4259031421  -0.1327132165  -1.4723563932
C   -1.8740415489  -2.4294212459  -0.5626858799
C    4.2416635615  -0.8126148789   0.7006343926
C   -3.3754202209  -1.1600275997   0.8469028734
C   -2.4532175458   2.5664115108  -0.3173442615
C    4.4150654706  -0.6510347719  -0.6589019852
C   -3.1327621147  -2.1768473305  -0.0555025836
C   -2.0332849176   1.7224928307  -2.1532611178
H   -0.6337293492   2.8647214927   1.5264477313
H    0.6726779078   2.9322510547   0.3696060526
H    1.2806056081   1.3834100848   3.4437124232
H   -0.4060346662   0.9121744359   3.6004882437
H    0.8435106681  -0.3221002770   3.5514157850
H    1.4463618974   0.6457289902  -1.5304381773
H    0.1611923768  -1.8149065032  -0.5572203836
H    2.8977686568  -0.5660786166   2.3250720485
H   -2.5046297059   0.4246583245   1.9586862439
H    3.5944577705  -0.0170234136  -2.5350654178
H   -1.7172609305  -3.2350244901  -1.2680703127
H    5.0360172395  -1.2177328421   1.3135705744
H   -4.3740765977  -0.9872038582   1.2260946067
H   -2.9161474750   3.0218141937   0.5438315818
H   -2.1481313007   1.3404502118  -3.1555944885
*
