! 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   -4.0591105549  -1.4050543786   1.3709578274
O   -0.7671253768  -0.1612956618   0.6734052869
O   -1.6793957851   0.6919550305  -1.7448548421
O   -2.2619969463   2.2633244730  -0.2588836155
O    0.4826340553  -1.4680001241  -0.6582229377
O   -4.3729963519  -0.6268880466   3.4496856770
O    2.8757954407   2.2566372514   0.1050158688
O    3.7186464010  -1.3767937541  -1.1375627025
O    6.2352953874  -2.0684638730  -1.6909268575
O    3.2032978574  -1.0604703288   1.1046236117
O    5.2850884215  -0.6831293076   1.8319731608
N    1.9244835841   0.8497033083  -1.3903775748
N    5.2290349403   1.9144720373  -1.3710308885
C   -3.4784998031   0.1822335686  -0.3017326028
C   -3.0664303358  -0.4326697838   1.0530506526
C   -1.7223086340  -1.1772566617   1.0245626196
C   -4.8384434234   0.8897100667  -0.2094271058
C   -2.4245923758   1.1753194143  -0.7456199861
C   -1.3321002138  -1.7983959843   2.3478735083
C   -5.2462060851   1.4690916156  -1.5367904528
C    0.5898767310   0.9388433074  -0.8712506981
C   -0.4079830657   1.2864361256  -2.0011811341
C    0.1375053754  -0.3849991545  -0.2732057790
C   -4.6428741311  -1.4113324437   2.5758652052
C   -5.6929658199  -2.4885256335   2.6703804796
C   -5.6823276244   0.6290708553  -2.5605816193
C   -5.1657675820   2.8364574636  -1.7851373881
C   -6.0283108226   1.1421039033  -3.8018986766
C   -5.5132713326   3.3540884994  -3.0268057900
C   -7.0061683162  -1.9423754525   2.0984350501
C   -5.8640612751  -2.9586017735   4.1074684150
C   -5.9431363762   2.5084793030  -4.0393502359
C    2.9780487593   1.3991794362  -0.7573771000
C    4.3410420221   0.9371660476  -1.1885230432
C    4.6606443542  -0.4043252372  -1.3014754174
C    5.9814170315  -0.7653675324  -1.6134245050
C    6.4631554896   1.5656409600  -1.6855882152
C    6.8981371548   0.2545696137  -1.8170496859
C    3.6457333822  -1.9817594450   0.1276761789
C    3.4490882867   0.3884066618   2.9699635495
C    4.0988262660  -0.4987552925   1.9343534853
C    2.0873014994  -0.1224422208   3.4344198223
C    4.3922946373   0.6163512342   4.1438925726
C    7.5628980846  -2.4806291302  -1.9874987564
H   -3.5393941275  -0.6227560865  -1.0392894971
H   -3.0350252030   0.3506339202   1.8158857980
H   -1.7482405437  -1.9433216901   0.2447251865
H   -4.8019570608   1.6690238739   0.5540005709
H   -5.5900744118   0.1670378559   0.1110850720
H   -2.0132692539  -2.6041651981   2.6173055467
H   -1.3232278717  -1.0639517327   3.1532510731
H   -0.3394726621  -2.2421645573   2.2718002575
H    0.5654757937   1.7130883804  -0.1067266698
H   -0.4748813098   2.3654999643  -2.1361476519
H   -0.0764607131   0.8378371870  -2.9353943570
H   -5.3748560378  -3.3301883481   2.0503342321
H   -5.7570295692  -0.4378889046  -2.3832459046
H   -4.8341381885   3.5061322771  -1.0011261575
H    2.0989305231   0.1136405458  -2.0587570270
H   -6.3678757598   0.4753867037  -4.5838388944
H   -5.4472535974   4.4200981129  -3.2015410650
H   -7.7810901536  -2.7047361647   2.1716235845
H   -6.9161713836  -1.6687880082   1.0468172063
H   -7.3454830651  -1.0665433918   2.6530418220
H   -4.9349103775  -3.3557463370   4.5183767628
H   -6.6058558515  -3.7557179374   4.1468070829
H   -6.2074372737  -2.1545775799   4.7588133543
H   -6.2138492080   2.9105444978  -5.0068571621
H    7.1687500463   2.3719022727  -1.8436519759
H    7.9312949264   0.0604873511  -2.0682255789
H    2.8786156867  -2.7456377804   0.0494684906
H    4.5936643742  -2.4343218477   0.4199920115
H    3.2942240080   1.3493014800   2.4659078298
H    2.1559631540  -1.1227606977   3.8646770713
H    1.3544435728  -0.1456745441   2.6309113055
H    1.6972307685   0.5425496601   4.2052715124
H    5.3475333325   1.0369006390   3.8321237749
H    4.5875508282  -0.3118237503   4.6838438345
H    3.9401610659   1.3183878510   4.8447984130
H    7.8842559581  -2.1229822548  -2.9672771253
H    8.2671984466  -2.1406176207  -1.2263363634
H    7.5487263583  -3.5668098208  -1.9955569398
*