! 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    0.8340367449  -0.7039866377   0.9829851841
O   -3.1533891420  -0.1224075923   0.2641989431
O   -0.9603316185  -0.7292400398   2.3230810122
O    0.6243602547   1.0127030309  -2.1012393821
N   -0.3214784725   1.6113454182  -0.1179583332
N    2.0062522337   1.6725594331  -0.4356487477
N    4.1569197561   1.3733288206  -0.0716818479
C   -0.2145648457   1.3599454722   1.3245494746
C   -1.2572481355   2.0963021847   2.1513585202
C   -1.6546547699   1.5186849748  -0.7189625548
C   -0.1943712312  -0.1464930397   1.5998644169
C    0.7213727601   1.3890045345  -0.9528722059
C   -1.1789194341   3.6055110762   1.9848981195
C   -2.2526213230   0.1562989308  -0.7119825932
C    1.1232262660  -2.0990267533   1.1844085777
C    0.4669790176  -2.9763761995   0.1418619311
C   -2.0896271351  -0.9342373354  -1.5009785643
C    0.9882391396  -2.7280056726  -1.2642414745
C    2.4260495093   2.7531623322   0.3090853140
C    3.0952015760   0.8810270787  -0.6356187173
C   -2.9374371312  -1.9504723598  -0.9691750923
C   -3.5531810058  -1.3999252215   0.1018844509
C    3.7525118854   2.5502083484   0.5101016641
C    0.3919016442  -3.5869075697  -2.3330581037
C   -0.5431887989  -4.5175553679  -2.1770687627
H    0.7567433743   1.7222250972   1.6657252781
H   -2.2662699384   1.7393459903   1.9443954983
H   -1.0619802623   1.8462893819   3.1951196875
H   -1.5867909570   1.8856610065  -1.7399180940
H   -2.3115655309   2.2137300876  -0.1975087776
H   -0.1851778998   3.9829480257   2.2321169207
H   -1.4144315219   3.9317155689   0.9713891160
H   -1.8877953551   4.0939624994   2.6528045800
H    0.8297330883  -2.3988538155   2.1903802465
H    2.2095479133  -2.1650685756   1.1187054064
H   -0.6176325710  -2.8506780015   0.1820661124
H    0.6698995970  -4.0106095674   0.4340883706
H   -1.4433550217  -1.0086624672  -2.3597780513
H    2.0759370647  -2.8656987635  -1.2806915842
H    0.8314592865  -1.6834587730  -1.5508787193
H    1.7766370442   3.5684060407   0.5797359929
H    3.0420129210  -0.0475287230  -1.1816796183
H   -3.0638277681  -2.9551539597  -1.3375919316
H   -4.2753859474  -1.7749362014   0.8088515778
H    4.4410953268   3.1905729342   1.0368563035
H    0.7808132819  -3.4068574366  -3.3311749981
H   -0.9107933711  -5.0840931584  -3.0230840632
H   -0.9794197171  -4.7565840238  -1.2151595273
*