! 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   -0.5254061001  -2.6647129460  -0.7596805917
O    2.5363687633   2.6230126471   0.0681829912
O    0.4878087008   3.3832015512   0.5522028541
N   -0.7995804050  -0.4403163822  -0.3792113919
N    1.2954660557  -1.3270921852  -0.9058849792
N   -1.4736368954   1.5579639735   0.2201423422
N    0.8678352398   1.2146240420  -0.1698312225
C    2.7611199138  -3.1044570671   0.0987008399
C    2.2398423055  -2.4005286488  -1.1501947501
C   -2.1949824843  -0.5038064623  -0.2262501002
C    3.8192748886  -2.3482360814   0.8974561050
C   -2.6034267271   0.7724875094   0.1526806942
C   -0.3822182855   0.8481217764  -0.1009961788
C    0.0088327149  -1.5715928746  -0.6904861373
C   -3.1306927275  -1.5136888423  -0.3939977949
C   -3.9256856583   1.0959199551   0.3865480095
C    3.3477321857  -1.0762065789   1.5889431992
C   -4.4636872780  -1.1950918927  -0.1606728139
C   -4.8592678665   0.0829215907   0.2248303548
C    1.2179847039   2.4768946940   0.1799699556
C    3.0822219026   3.8927180748   0.4111724466
H    3.1988747678  -4.0495527974  -0.2332551708
H    1.9206950058  -3.3731192826   0.7456112310
H    1.7717179717  -3.1284944220  -1.8119293860
H    3.0716636474  -1.9690890164  -1.7080663555
H    4.2140001523  -3.0297379598   1.6553850640
H    4.6624184099  -2.1139276730   0.2403515328
H    1.6290031444  -0.3826667050  -0.7286611625
H   -2.8581621105  -2.5111546317  -0.6931912015
H   -4.2145281116   2.0956498858   0.6801215525
H    4.1159893579  -0.7017130317   2.2669472047
H    3.1269197453  -0.2701493935   0.8895276185
H    2.4478327299  -1.2534657897   2.1812558396
H   -5.2103525961  -1.9673311434  -0.2855327858
H   -5.9061170699   0.2911710559   0.3979946817
H    4.1543907030   3.8067789319   0.2576080442
H    2.6957170733   4.6867786187  -0.2279857795
H    2.8931141685   4.1457046929   1.4545461550
H   -1.4249504186   2.5354519181   0.4721822210
*