! 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    3.4699484295   1.2912698150  -0.9660161436
O    0.4579355261   1.6242349460  -0.2896052457
O    2.9057858817   0.4823051047   1.0362708441
N    0.6159083343  -0.6116308923  -0.3046132843
C    1.9209650153  -0.4772347911  -0.9522770686
C   -0.0288742141  -1.8834816854  -0.2352439937
C   -0.6897701006  -2.3503401795  -1.3802248541
C    0.0099522509  -2.6301962426   0.9424524049
C   -0.0497420691   0.5397656685  -0.0391843750
C   -1.4137612704   0.4202790119   0.6109917558
C    2.6687130699  -1.8022053542  -1.0374807297
C    2.7846965610   0.4951092238  -0.1642884713
C   -1.3136342435  -3.5897453150  -1.3279265660
C   -0.6284759065  -3.8706535929   0.9552020241
C   -2.1188314905   1.7418827026   0.6810924997
C   -0.7274834672  -1.5366325331  -2.6388419624
C    0.6815965669  -2.1422666915   2.1902637732
C   -1.2818115984  -4.3479018576  -0.1659518863
C   -3.1385781826   2.0448080787  -0.2141655255
C   -1.7518051121   2.6956937380   1.6273329411
C   -3.7792621678   3.2771080191  -0.1711249449
C   -2.3877597058   3.9270432942   1.6731010858
C   -3.4027087782   4.2229444333   0.7707965684
C    4.3701702486   2.2202513357  -0.3590477100
H    1.7932892251  -0.0827001383  -1.9642403061
H   -1.2673189420   0.0082435127   1.6148827654
H   -2.0262079988  -0.3112837080   0.0807920195
H    2.1474870279  -2.5143257345  -1.6755260351
H    3.6501478467  -1.6325910051  -1.4807558648
H    2.8120754380  -2.2543201860  -0.0565766977
H   -1.8297007595  -3.9641273718  -2.2031522782
H   -0.6077887558  -4.4657921622   1.8600399298
H    0.2518190774  -1.4847627214  -3.1188820203
H   -1.4139173208  -1.9756368568  -3.3606090073
H   -1.0524219511  -0.5100355226  -2.4644136570
H    1.3571859890  -1.3105798609   2.0110512686
H   -0.0600814187  -1.8126678089   2.9211953831
H    1.2503920336  -2.9449174414   2.6599114029
H   -1.7698725760  -5.3133463688  -0.1376756716
H   -3.4389048884   1.3110595188  -0.9526926128
H   -0.9645735068   2.4731038857   2.3373119966
H   -4.5719540636   3.4959296069  -0.8745187430
H   -2.0905650877   4.6588350151   2.4128870660
H   -3.8976147460   5.1846033563   0.8051256619
H    4.8023967407   2.7929992246  -1.1746030448
H    5.1653586455   1.7100682774   0.1836657295
H    3.8448673231   2.8959114783   0.3151383524
*