! 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
F   -1.3129342201  -0.1214591860  -1.9880870200
F   -1.9417697962  -1.7619813543  -0.7453763212
F   -3.2289514122  -1.0354556682  -2.3027069825
O    4.4799378308  -0.1957696710  -0.5716386276
O   -1.4013951717  -1.0445051221   2.3216201734
N   -0.0859017266   0.0945267446   0.8452554456
C    4.2820792716   0.7525870658  -1.6281399611
C   -2.4433623086   0.5155516119   0.8802890427
C    1.1897846809  -0.4480123562   1.0579740932
C    3.4737427828  -0.5141396353   0.2669638723
C   -2.9875774112   0.3189376918  -0.3911369438
C    2.1730550847  -0.0415622539   0.1511964409
C   -1.2616058568  -0.2430408888   1.4146042648
C    4.2974573268   2.1715945304  -1.0891663710
C    5.3939807274   0.5140581405  -2.6278103500
C    1.5044572862  -1.3235044637   2.0910571695
C    3.7945719480  -1.3973788572   1.3007510698
C   -3.0512840727   1.4112652990   1.7515562712
C   -4.1129056190   1.0362289188  -0.7791860431
C    2.8125359171  -1.7848502884   2.1897944753
C   -2.3727033975  -0.6507227845  -1.3557764606
C   -4.1681115667   2.1304674503   1.3567651823
C   -4.6980632153   1.9426974498   0.0904332039
H    3.3268299898   0.5510887012  -2.1239182086
H    1.8927415940   0.6418500168  -0.6397346965
H   -0.1248043941   0.8176686706   0.1422028498
H    5.2576434584   2.3986699001  -0.6228989465
H    4.1458640714   2.8774715986  -1.9059479649
H    3.5124497180   2.3523286775  -0.3542268646
H    5.3685794725  -0.5039255967  -3.0173615626
H    6.3752777443   0.6929340103  -2.1852659890
H    5.2789190642   1.1939914695  -3.4715523765
H    0.7700558403  -1.6411252509   2.8109937459
H    4.8059748567  -1.7708048620   1.3950792270
H   -2.6409832361   1.5564678984   2.7422460403
H   -4.5493967206   0.8917713001  -1.7574053520
H    3.0658369582  -2.4662108302   2.9912290258
H   -4.6250374174   2.8317244096   2.0414961757
H   -5.5733617372   2.4944035997  -0.2229534617
*