! 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   -0.1777114051  -0.7467339956  -0.6298186591
O   -1.3741587172  -0.2902806085   1.2330091531
O    6.0900009656   1.2299618702  -0.4790534273
O    4.0196778524   1.4922732747  -1.3150573288
N   -2.2864630400  -0.1830077312  -0.8675898174
N    4.4920678241  -0.0561111252   0.3083422008
C   -3.6126969783   0.1988408213  -0.6254767409
C   -5.5812527229   0.4321800640   0.7610587738
C   -4.2459976422   0.0682650761   0.6102363686
C    3.2763356864  -0.7144069800   0.4861358631
C    0.9466420544  -1.0974091821   0.0950785654
C   -4.3265157934   0.6933739765  -1.7146144110
C   -6.2845188522   0.9263302938  -0.3352705731
C    2.0864761108  -0.3471864908  -0.1411855046
C   -5.6559648073   1.0512305058  -1.5638739658
C   -6.2637682777   0.2806163384   2.0885246893
C    3.2784831018  -1.8058803692   1.3570851698
C    0.9336670625  -2.1900691575   0.9429840657
C    2.1198471212  -2.5276576714   1.5780740365
C   -1.3055199998  -0.3942590110   0.0323427502
C    4.7926521625   0.9383334032  -0.5642275541
C    6.5770751051   2.2611363299  -1.3354148461
H   -3.7163305215  -0.3272933058   1.4632394961
H   -3.8421316904   0.7959496247  -2.6781715886
H   -7.3245391090   1.2091067979  -0.2272344806
H    2.0316486311   0.4936404536  -0.8137019288
H   -6.2015320404   1.4336012017  -2.4164398536
H   -2.0213738479  -0.2454169854  -1.8402575753
H    4.1955810246  -2.0962710848   1.8546064627
H    0.0374977837  -2.7749288088   1.0973671878
H   -6.6577536031   1.2347759193   2.4415961410
H   -7.1092576230  -0.4056803502   2.0193312653
H   -5.5870594561  -0.1021833736   2.8509093790
H    2.1438392912  -3.3751459257   2.2493167510
H    5.2638923856  -0.4184044250   0.8495402598
H    7.6424343350   2.3307300393  -1.1361618657
H    6.1101745508   3.2207164139  -1.1148152705
H    6.4272111518   2.0160546295  -2.3864337765
*