! 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    1.6179336956   0.4864120923   1.8467505143
O   -1.8984788896   1.1956204399  -1.3730417819
O    0.2391995246  -1.5106843241   0.6854063581
O    5.5640537785  -1.6877272540   2.0708501630
O   -4.1447018313  -1.5804509978   1.4767548576
O    4.6580898511   1.1420922984  -1.4932570238
O   -5.2739601674  -1.3063481219  -3.0160532413
O   -0.1089994933  -0.9444366579  -1.4423741565
N    3.5520197592  -0.6007043178   1.9651276265
N   -2.9899485066  -0.1725037380   0.0926361720
N    3.0898877769   0.8310886199   0.1419780438
N   -3.5496898006  -0.0406862309  -2.1991815986
C   -0.1213449351   0.7580417686   0.2086976754
C    0.7090371227   1.2868004113   1.1953652342
C   -1.0661401323   1.6134468236  -0.3624184287
C    0.6227492658   2.6093553546   1.5871679951
C   -1.1799614052   2.9321425319   0.0312271789
C   -0.3254506943   3.4294114463   1.0020613388
C   -0.0004599055  -0.6415340324  -0.2781530574
C    2.8072301443   0.2333276496   1.2731542959
C   -2.8511633717   0.2757294778  -1.1313822414
C    4.7447691605  -0.8570730474   1.4451493055
C   -3.9533935059  -1.0700614865   0.2707046972
C    4.2910222788   0.5668257303  -0.3592677404
C   -4.5143261189  -0.9299219527  -1.9995442183
C    5.1888986196  -0.2888909063   0.2586155213
C   -4.7752819567  -1.4980626580  -0.7591837211
C    5.1299907776  -2.3134394183   3.2751221775
C   -3.2855790889  -1.1710438091   2.5389144757
C    3.7622198497   2.0557797349  -2.1223865386
C   -5.0393007275  -0.7420607648  -4.3034562163
H    1.2915992985   2.9881919991   2.3477781662
H   -1.9308759017   3.5638579275  -0.4229427225
H   -0.4034028087   4.4636088492   1.3056845703
H    6.1659200054  -0.4970261164  -0.1508707648
H   -5.5614345249  -2.2233536896  -0.6098710476
H    0.3409926005  -2.3991725969   0.3090912976
H    5.9573750786  -2.9424691268   3.5916898178
H    4.9156798095  -1.5851758680   4.0557454417
H    4.2511197676  -2.9352611649   3.1110425638
H   -3.4057610783  -0.1125653491   2.7675782370
H   -3.5868352429  -1.7588963317   3.4015082489
H   -2.2393850267  -1.3731340057   2.3114111844
H    3.5265126901   2.8990754965  -1.4746203358
H    4.2844113766   2.4168401429  -3.0035588738
H    2.8368808537   1.5684244957  -2.4263288544
H   -4.0397417476  -0.9733166209  -4.6698208157
H   -5.7739384489  -1.1984033199  -4.9609813327
H   -5.1827920817   0.3378661873  -4.3028675329
*