%chk=000169442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169442

0 1
 O  -0.8784000       1.687000     -0.3442000    
 O   -4.204500       1.862600     -0.7682000    
 O   -3.275600       1.207600      -2.646300    
 O   -2.377600      -4.262200      0.9865000    
 O   -4.176500      -3.653400     -0.1146000    
 O  -0.6083000       3.791600      0.4012000    
 O   -1.884100       2.339500       1.657000    
 N   -3.421300       1.118500      -1.404300    
 N   -3.041800      -3.402500      0.3588000    
 C    4.322400     -0.5993000     -0.2487000    
 C    5.701200     -0.3840000      0.3830000    
 C    3.202000     -0.2701000      0.7418000    
 C    6.868800     -0.7251000     -0.5612000    
 C    1.823000     -0.5152000      0.1210000    
 C   0.6698000     -0.2230000       1.087400    
 C    6.799700      0.1563000      -1.810900    
 C    8.232300     -0.5599000      0.1114000    
 C  -0.6934000     -0.5296000      0.5199000    
 C   -1.413100      0.4425000     -0.1750000    
 C   -1.233200      -1.803400      0.6968000    
 C   -2.672600      0.1406000     -0.6929000    
 C   -2.492700      -2.105300      0.1790000    
 C   -3.212300      -1.133200     -0.5160000    
 C   -1.194000       2.592200      0.6775000    
 C  -0.8398000       4.827700       1.361200    
 H    4.197000      3.9700001E-02  -1.128900    
 H    4.230300      -1.639900     -0.5819000    
 H    5.790200      0.6578000      0.7170000    
 H    5.782400      -1.007800       1.282300    
 H    3.281400      0.7773000       1.056700    
 H    3.311900     -0.8887000       1.640600    
 H    6.774700      -1.773000     -0.8733000    
 H    1.760100      -1.558400     -0.2146000    
 H    1.712000      0.1067000     -0.7765000    
 H   0.8097000     -0.8161000       2.001500    
 H   0.7255000      0.8180000       1.425000    
 H    6.749700       1.219000      -1.550400    
 H    7.687100      7.7000000E-03  -2.436600    
 H    5.935000     -8.9699998E-02  -2.434100    
 H    8.395400      0.4761000      0.4269000    
 H    8.304400      -1.198900      0.9977000    
 H    9.042100     -0.8401000     -0.5704000    
 H  -0.6533000      -2.546500       1.239500    
 H   -4.196400      -1.347500     -0.9283000    
 H  -0.3200000       5.727700       1.022200    
 H  -0.4384000       4.536600       2.336600    
 H   -1.909700       5.045800       1.432300    


%chk=000169442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169442

0 1
O -0.645532 1.569245 0.237555
O -2.730108 2.380183 -1.367773
O -4.604978 1.093493 -1.390723
O -2.572394 -4.482427 0.617710
O -4.400350 -3.588592 -0.416240
O -0.507791 3.780554 0.411876
O -2.317067 2.712213 1.462081
N -3.371966 1.295815 -1.083246
N -3.226707 -3.493605 0.107783
C 4.367158 -0.590073 -0.244782
C 5.780090 -0.407399 0.355446
C 3.250189 -0.497102 0.819422
C 6.947939 -0.621090 -0.645104
C 1.834798 -0.655494 0.222741
C 0.728321 -0.610773 1.316589
C 6.932554 0.417546 -1.793071
C 8.305671 -0.584778 0.096543
C -0.662729 -0.766015 0.734401
C -1.351573 0.357580 0.190599
C -1.293323 -2.025280 0.691516
C -2.639179 0.195017 -0.402864
C -2.578619 -2.156922 0.126650
C -3.265691 -1.066050 -0.423025
C -1.292093 2.723151 0.761244
C -1.017492 5.104476 0.862768
H 4.185667 0.174680 -1.026022
H 4.309698 -1.576708 -0.750984
H 5.865818 0.610026 0.793657
H 5.902550 -1.120570 1.197820
H 3.320484 0.480247 1.340617
H 3.415587 -1.276708 1.592696
H 6.827373 -1.631166 -1.093400
H 1.766653 -1.616336 -0.326394
H 1.649228 0.150520 -0.513200
H 0.909733 -1.420584 2.048006
H 0.810458 0.350298 1.855746
H 7.005333 1.445605 -1.387035
H 7.789243 0.263637 -2.475390
H 6.009188 0.355371 -2.396588
H 8.470517 0.407787 0.559311
H 8.346698 -1.343511 0.900649
H 9.146315 -0.776599 -0.596023
H -0.801602 -2.909613 1.106484
H -4.257042 -1.183548 -0.867035
H -0.247690 5.816916 0.539224
H -1.138452 5.112020 1.958469
H -1.983784 5.310267 0.374798


