%chk=000147082.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147082

0 1
 O    2.339700       2.494100      -1.090800    
 O    1.353100       2.643200      0.9441000    
 O   -2.604400      0.6722000       1.401200    
 O   -4.143700      -2.087700     -0.2880000    
 O   -6.311800      -1.629200      0.1987000    
 N  -6.4000003E-02  0.3501000      0.3979000    
 N    6.956000      -2.254300      0.1768000    
 N   -3.467800      0.3956000     -0.7371000    
 C    2.282000     -0.4446000      0.3768000    
 C    1.253400      0.5277000     -0.2143000    
 C    3.675000     -0.3725000     -0.2634000    
 C    4.660400      -1.401400      0.2966000    
 C    6.032900      -1.262500     -0.3620000    
 C   -1.112600      0.8205000     -0.4930000    
 C    1.646800       1.980600     -4.4599999E-02
 C   -2.453200      0.6174000      0.1827000    
 C   -4.849700      0.1991000     -0.3613000    
 C   -5.192000      -1.248500     -0.1201000    
 H    1.907700      -1.471500      0.2725000    
 H    2.386400     -0.2563000       1.453800    
 H    1.186600      0.3155000      -1.290100    
 H    3.578500     -0.5182000      -1.346400    
 H    4.092300      0.6301000     -0.1125000    
 H    4.750700      -1.264500       1.381500    
 H    4.266000      -2.411600      0.1298000    
 H  -0.2175000     -0.6411000      0.5855000    
 H    6.437100     -0.2592000     -0.1885000    
 H    5.947500      -1.405600      -1.444500    
 H   -1.090600      0.2687000      -1.440100    
 H   -1.018500       1.891000     -0.7069000    
 H    7.878600      -2.115300     -0.2333000    
 H    7.065000      -2.112600       1.180200    
 H   -3.244400      0.3631000      -1.727400    
 H    2.571400       3.436700     -0.9494000    
 H   -5.465400      0.5719000      -1.184600    
 H   -5.057200      0.7632000      0.5527000    
 H   -4.391700      -3.022600     -0.1246000    


%chk=000147082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147082

0 1
O 2.464907 1.553511 -2.213260
O 0.881724 2.513604 -0.818612
O -2.107171 -1.587298 0.766410
O -5.815504 1.041605 -0.939468
O -7.173839 -0.430180 0.245821
N 0.087289 -0.095146 0.033805
N 7.354810 -1.394432 1.221824
N -3.553314 -0.118423 -0.293897
C 2.518505 -0.261377 0.355944
C 1.366271 0.062884 -0.646433
C 3.906499 -0.487642 -0.278735
C 4.974325 -0.836784 0.781666
C 6.372277 -1.061104 0.170066
C -1.136848 0.105209 -0.734354
C 1.506330 1.495183 -1.181650
C -2.294805 -0.602174 -0.015121
C -4.737555 -0.747493 0.290736
C -6.035146 -0.069737 -0.107808
H 2.217810 -1.185984 0.891093
H 2.559756 0.540749 1.117419
H 1.483904 -0.605335 -1.537782
H 3.841557 -1.310966 -1.019900
H 4.216258 0.411288 -0.844238
H 5.031014 -0.016159 1.528937
H 4.689105 -1.750893 1.337731
H 0.023007 -0.909747 0.656917
H 6.643726 -0.161198 -0.437383
H 6.323200 -1.914985 -0.533587
H -1.078040 -0.329603 -1.766886
H -1.356348 1.185381 -0.852114
H 8.261426 -1.717884 0.871032
H 7.460337 -0.663598 1.933328
H -3.690719 0.711777 -0.874294
H 2.542922 2.497318 -2.522137
H -4.677405 -0.750842 1.397034
H -4.804491 -1.814346 0.001155
H -6.683174 1.466322 -1.175361


