! 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
F    1.4177469392   1.9207760738   1.1844711089
F    1.3931595519   2.0213892948  -0.9930793926
O    1.8390168183  -2.3331281799  -1.1301828316
N    0.5983880991  -0.9091381712   0.1333169795
N    5.0695582679  -0.0181999604  -0.0228887283
N    4.4541291548   1.1466247556   0.1183238422
C   -3.2436260121   1.1656437646   0.1441592119
C   -1.8992836965   0.7587553649   0.7888125182
C   -3.9927887428  -0.0665100936   0.6989279162
C   -2.3075680537   0.6787455625   2.2796058813
C   -3.7471427241   0.1097044373   2.2173241184
C   -1.7792861330  -0.6667111260   0.3098870031
C   -3.0783755464  -1.1750104483   0.2543557421
C   -3.2545518531   1.3631318378  -1.3685428162
C   -0.6858518021  -1.4678971433   0.0125851864
C   -3.3226683033  -2.4824767063  -0.1115701976
C   -2.3359186292   2.5120642985  -1.7716875865
C   -4.6730262365   1.6227253223  -1.8653630632
C   -0.9282315235  -2.7958655375  -0.3673154260
C   -2.2260910764  -3.2810204942  -0.4294345598
C    1.7465198065  -1.3197758704  -0.4514325152
C    2.9422473147  -0.4900137457  -0.2100227605
C    3.1670286065   0.8868114716   0.0159847082
C    4.2146125661  -1.0232971524  -0.2334706332
C    2.2273336327   2.0290676197   0.0823743405
C    6.5115270229  -0.1145099325   0.0579993923
H   -3.6201734180   2.0850379877   0.6103166650
H   -1.0543637344   1.4167098376   0.5976365086
H   -5.0409959900  -0.1828939486   0.4279977622
H   -2.2945366271   1.6745465740   2.7250950605
H   -1.6267935380   0.0552051693   2.8596205869
H   -3.8588900727  -0.8279538518   2.7618919880
H   -4.4683673012   0.8146558404   2.6334449640
H   -2.8889340977   0.4514505060  -1.8528763436
H   -4.3287555193  -2.8796437850  -0.1588423708
H   -2.3765460274   2.6867379187  -2.8482990382
H   -2.6273074722   3.4423564424  -1.2773349471
H   -1.2934670871   2.3168969234  -1.5175406888
H   -5.3415887765   0.7874574076  -1.6526221205
H   -5.0988774355   2.5135649154  -1.3965541700
H   -4.6873247494   1.7823976219  -2.9449466521
H   -0.1138367027  -3.4585947295  -0.6075929527
H   -2.3796753530  -4.3092238062  -0.7305540119
H    0.6503462795  -0.0882196971   0.7144642421
H    4.5494339724  -2.0385330571  -0.3715023254
H    2.7414681362   2.9879982249   0.1321384814
H    6.9096209539  -0.5537654170  -0.8529849589
H    6.9182845888   0.8835237256   0.1794969824
H    6.8032254948  -0.7252907661   0.9087911461
*