! 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
O   -0.2896477530  -2.5320375365  -0.7742203066
O    2.4709661927   2.9824560134  -0.1645797315
O    0.3758497738   3.6219859575   0.2897004474
N   -0.6503481674  -0.3363445302  -0.3337620810
N    1.4758620297  -1.1118538763  -0.9029710169
N   -1.4346787151   1.6428631659   0.1910869730
N    0.9165292681   1.4284747447  -0.2304852775
C    3.4416266054  -2.2228024223   0.1045844173
C    2.5121984936  -2.1068020938  -1.0976680088
C   -2.0353213146  -0.4792807076  -0.1363884893
C    2.7791469282  -2.6594498962   1.4065788182
C   -2.5130997696   0.7863311112   0.1941789282
C   -0.3083584085   0.9877354206  -0.1225195444
C    0.2038003191  -1.4221282307  -0.6826282372
C   -2.9106199334  -1.5535471660  -0.2076211436
C   -3.8440513271   1.0409475218   0.4609032225
C    2.1743009760  -4.0553100437   1.3625797281
C   -4.2520087846  -1.3049397575   0.0598482137
C   -4.7165366156  -0.0342276901   0.3883203097
C    1.1702375868   2.7432343582  -0.0109331482
C    2.9130752791   4.3230577103   0.0255394874
H    3.9397627848  -1.2609255557   0.2567293014
H    4.2297161038  -2.9339603429  -0.1597878906
H    2.0488158941  -3.0618101031  -1.3352416817
H    3.0975848851  -1.8195518423  -1.9722932648
H    3.5349795434  -2.6244086165   2.1952903086
H    2.0143629651  -1.9343843048   1.6997626883
H    1.7531457559  -0.1447524135  -0.7470753469
H   -2.5892205651  -2.5497191192  -0.4572607777
H   -4.1830594217   2.0356544675   0.7144789063
H    1.8110602515  -4.3520561077   2.3473405045
H    1.3296106581  -4.1177090280   0.6762805044
H    2.9121861519  -4.7967228727   1.0490482154
H   -4.9499121324  -2.1293826304   0.0096578911
H   -5.7678710089   0.1177973167   0.5899739343
H    2.4508629416   5.0054099086  -0.6880472229
H    2.7171281516   4.6743076917   1.0386238126
H    3.9861853612   4.3081318023  -0.1429724032
H   -1.4431094841   2.6331835709   0.3929617483
*