! 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    0.5406917534  -0.7162076906   0.6488659252
O   -3.3243631005   0.0413272108   0.3523268855
O   -0.9434577797  -0.6679171173   2.3190651077
O    0.3995715090   1.1239740488  -2.1995486621
N   -0.4167882893   1.7219445452  -0.1565141159
N    1.8860649255   1.7632450475  -0.6202708902
N    4.0563734486   1.4466740660  -0.4158232806
C   -0.2356112752   1.4053251691   1.2644636904
C   -1.1848507184   2.1619813066   2.1818676374
C   -1.7852342017   1.6235938720  -0.6688605285
C   -0.2889503822  -0.1088174895   1.4758784726
C    0.5704567938   1.4942907676  -1.0585578280
C   -1.0557576223   3.6703286497   2.0462057199
C   -2.3681913874   0.2548378265  -0.5871359773
C    0.6286850078  -2.1484643613   0.6808915426
C    1.6165559302  -2.5646786956  -0.3881530849
C   -2.1219146675  -0.9017811967  -1.2516598391
C    1.7921031003  -4.0776422149  -0.4352836516
C    2.3527692865   2.7826823182   0.1820908330
C    2.9627844985   0.9978611224  -0.9531717185
C   -2.9755235758  -1.8896955598  -0.6775220957
C   -3.6790167552  -1.2583938538   0.2903853355
C    3.6877590056   2.5680841287   0.2874257553
C    0.6462331098  -4.8687145481  -0.9902501627
C   -0.3836178672  -4.4031242335  -1.6877880536
H    0.7750186177   1.6938813458   1.5604872625
H   -2.2203387487   1.8529758244   2.0363246109
H   -0.9303385506   1.8759803974   3.2030584846
H   -1.7866643484   1.9764597658  -1.6973114485
H   -2.4094735315   2.3234681618  -0.1139323501
H   -1.7072653497   4.1690878680   2.7630912070
H   -0.0365009834   4.0033039244   2.2486360369
H   -1.3323876047   4.0299522621   1.0548482953
H   -0.3612063488  -2.5755394156   0.5090086759
H    0.9733433348  -2.4705526418   1.6664184985
H    2.5861822017  -2.1101923919  -0.1714828322
H    1.3018311614  -2.1815242600  -1.3631625572
H   -1.4131066897  -1.0341136595  -2.0528316174
H    2.0212604435  -4.4504977375   0.5678228898
H    2.6816882232  -4.3142586874  -1.0275138967
H    1.7237059291   3.5728879618   0.5545890316
H    2.8770788910   0.1238770997  -1.5784440287
H   -3.0539145339  -2.9293662597  -0.9511971886
H   -4.4398435836  -1.5864425136   0.9799074095
H    4.4066944176   3.1657713366   0.8234821952
H    0.7018531147  -5.9378631756  -0.8085082771
H   -1.1492252533  -5.0691458969  -2.0640232574
H   -0.5060547656  -3.3532176574  -1.9250272400
*