! 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   -0.5603094061  -2.5239483272   0.2962627732
O    2.3953169775   2.9091017395   0.1347612935
O    0.3204602323   3.6707216501  -0.2125701955
N   -0.8632757912  -0.2779680585   0.1471163277
N    1.2378334060  -1.1752136055   0.6101356094
N   -1.5763090271   1.7683464162  -0.1891706833
N    0.7738714212   1.4249486040   0.1413793562
C    3.2026217099  -2.2133103460  -0.4505530718
C    2.2409940969  -2.2138520641   0.7305544718
C   -2.2583102452  -0.3473997060  -0.0154462519
C    4.3610967980  -3.1898723760  -0.2771238317
C   -2.6903442314   0.9595991389  -0.2265275159
C   -0.4710959982   1.0445024037   0.0347950550
C   -0.0404604740  -1.4228620480   0.3514519689
C   -3.1782431566  -1.3856171280   0.0102583357
C   -4.0165849934   1.2903347159  -0.4237051527
C    3.9404255402  -4.6519953313  -0.2358896402
C   -4.5156410601  -1.0603443665  -0.1866178493
C   -4.9333831647   0.2503598372  -0.4018120864
C    1.0813841766   2.7391978452   0.0037445718
C    2.8964606751   4.2367760294   0.0137896471
H    3.6047676911  -1.2038185590  -0.5755710597
H    2.6517462877  -2.4464959773  -1.3666244799
H    2.7956197045  -2.0467072565   1.6566566365
H    1.7401064774  -3.1740277648   0.8323280231
H    5.0622644476  -3.0432871540  -1.1019416671
H    4.9120189775  -2.9400798356   0.6347661030
H    1.5453723274  -0.2061151594   0.5553824857
H   -2.8938514753  -2.4104878601   0.1746233896
H   -4.3189657177   2.3154667135  -0.5858526356
H    3.3770183489  -4.9261519384  -1.1298053099
H    4.8109961889  -5.3067814626  -0.1835753747
H    3.3163886305  -4.8788781667   0.6294925657
H   -5.2485068117  -1.8553203681  -0.1712240603
H   -5.9829408627   0.4621582362  -0.5523992908
H    2.6895288951   4.6589656491  -0.9695715472
H    2.4889112293   4.8940835032   0.7819361362
H    3.9719565154   4.1607710130   0.1470541398
H   -1.5478895797   2.7713406352  -0.3101349317
*