! 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    1.4025321710  -1.9008876554   0.0012272034
O    0.0742421895   2.1299652286  -0.0043480185
N    2.1476689413   0.2554820737  -0.0026766685
N   -0.1127726294  -0.2100885835  -0.0011272416
N   -1.9199914886   0.9417403036  -0.0019875701
N   -1.1493452371  -1.1054974998   0.0001300117
N   -2.8238687490   1.9795256040  -0.0018423250
C    3.6015228873   0.0317822992   0.0004653387
C   -3.5963712249  -0.9701104507   0.0007008663
C   -2.2225583197  -0.3961880210   0.0002064316
C    4.0429801042  -0.7245849231  -1.2505898243
C    4.2278140134   1.4236385263  -0.0056874324
C    4.0391844998  -0.7119756562   1.2603779963
C    1.2199024654  -0.6999993991  -0.0006727305
C   -0.5591660364   1.0856448702  -0.0032188809
C   -4.3643282251  -0.6008703751   1.2686986433
C   -4.3667115811  -0.5972978711  -1.2648712660
H   -3.4457821479  -2.0518952087  -0.0010255678
H    1.8326880736   1.2169920934  -0.0017166684
H    3.6414190135  -1.7357179944  -1.2827601693
H    3.7323473212  -0.2023206532  -2.1564001919
H    5.1307608115  -0.8025805521  -1.2688387202
H    3.9359688057   1.9981529908   0.8756872857
H    3.9372028469   1.9896590062  -0.8928881146
H    5.3145315246   1.3463552768  -0.0045879178
H    3.6359296487  -1.7221232540   1.3025498730
H    5.1267994728  -0.7914906356   1.2819652536
H    3.7273622020  -0.1795252990   2.1598380439
H   -4.5665801742   0.4674352783   1.3217247351
H   -3.8183866850  -0.8929212292   2.1661624127
H   -5.3210641146  -1.1232192649   1.2798937380
H   -3.8206322419  -0.8830053634  -2.1642748597
H   -4.5725248186   0.4706218352  -1.3127546278
H   -5.3217597211  -1.1226813081  -1.2778483542
H   -2.6624445225   2.5603966965   0.8118239229
H   -2.6849501820   2.5412946093  -0.8330307044
*