%chk=000146628.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146628

0 1
 O   -1.609700       1.822700      -2.189600    
 O   -2.230400       1.870600     -8.4500000E-02
 N   -1.270500     -0.8462000     -0.8844000    
 N    2.744500     -0.6093000      0.2934000    
 N    4.038300       1.830000      0.6191000    
 N   -4.975700      0.3137000       1.050500    
 N   -1.344500       1.807600     -0.9665000    
 C   8.9199997E-02 -0.7333000     -0.4864000    
 C   0.7090000      0.5108000     -0.3319000    
 C    2.056800      0.5263000      6.4999998E-02
 C   -2.342500     -0.8809000      5.2900001E-02
 C   0.7985000      -1.915400     -0.2507000    
 C   -3.689500     -0.9251000     -0.6677000    
 C    2.679200       1.762000      0.2205000    
 C    2.142800      -1.805000      0.1430000    
 C   -4.909200     -0.9086000      0.2590000    
 C   2.0300001E-02   1.714600     -0.5620000    
 C    1.998000       2.960100     -7.4999998E-03
 C   0.6656000       2.936800     -0.3995000    
 C   0.2009000      -3.179300     -0.3983000    
 C    2.854200      -2.978400      0.3792000    
 C   0.9340000      -4.337000     -0.1560000    
 C    2.263500      -4.236000      0.2335000    
 C    4.404000       2.512400       1.839900    
 C    5.063700       1.205100     -0.1860000    
 C   -5.877900      0.1414000       2.190700    
 C   -5.412300       1.440600      0.2240000    
 H   -2.264800      -1.814200      0.6277000    
 H   -2.284900     -0.1119000      0.8239000    
 H   -3.734100      -1.850100      -1.259500    
 H   -3.752200     -0.1177000      -1.405400    
 H   -1.398500      -1.390700      -1.733700    
 H   -4.819300      -1.779800      0.9216000    
 H   -5.825500      -1.058900     -0.3267000    
 H    2.496600       3.918700      0.1102000    
 H   0.1497000       3.877900     -0.5744000    
 H  -0.8334000      -3.304800     -0.7063000    
 H    3.897500      -2.925300      0.6852000    
 H   0.4708000      -5.312100     -0.2719000    
 H    2.844700      -5.133300      0.4247000    
 H    5.407300       2.221800       2.170300    
 H    3.710400       2.266600       2.651600    
 H    4.402100       3.597400       1.693800    
 H    5.975000       1.813400     -0.1865000    
 H    4.752500       1.092400      -1.230700    
 H    5.320900      0.2182000      0.2121000    
 H   -5.519800     -0.6584000       2.848500    
 H   -6.899800     -0.1000000       1.876400    
 H   -5.909300       1.053100       2.797700    
 H   -4.750900       1.623200     -0.6262000    
 H   -5.409100       2.363700      0.8150000    
 H   -6.426700       1.293800     -0.1658000    


%chk=000146628-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146628

0 1
O -1.548178 0.378014 -2.343529
O -2.155224 2.419514 -1.506852
N -1.316409 -1.542195 -0.324016
N 2.789080 -0.773995 0.055034
N 3.659143 1.785146 1.110268
N -4.859107 0.735197 1.152482
N -1.361394 1.377716 -1.530191
C 0.003949 -1.203882 -0.472545
C 0.524495 0.142729 -0.357037
C 1.913228 0.268894 0.085490
C -2.407839 -0.815916 0.360927
C 0.966883 -2.265896 -0.713089
C -3.746406 -0.927509 -0.401215
C 2.395292 1.586539 0.569708
C 2.358959 -1.981964 -0.443629
C -4.950755 -0.595236 0.504675
C -0.214473 1.351433 -0.633769
C 1.532270 2.706965 0.403663
C 0.285230 2.600101 -0.234286
C 0.609077 -3.573898 -1.174104
C 3.333248 -3.016599 -0.643213
C 1.579156 -4.560767 -1.371196
C 2.955315 -4.279884 -1.098062
C 4.133641 3.162325 1.347613
C 4.491339 0.747156 1.758158
C -5.793330 0.853869 2.291253
C -5.021098 1.855813 0.198184
H -2.532065 -1.257879 1.373516
H -2.136651 0.235000 0.523218
H -3.881299 -1.969611 -0.761804
H -3.714218 -0.291596 -1.302777
H -1.544531 -2.519198 -0.519095
H -5.003970 -1.351681 1.313918
H -5.892803 -0.699567 -0.096055
H 1.849317 3.695679 0.738592
H -0.307270 3.490688 -0.459906
H -0.429817 -3.811266 -1.437350
H 4.378528 -2.768550 -0.433818
H 1.288000 -5.547095 -1.747687
H 3.710096 -5.058216 -1.255053
H 5.210150 3.123844 1.578567
H 3.616811 3.648981 2.201114
H 3.995176 3.788590 0.448731
H 5.543090 0.862081 1.436160
H 4.132650 -0.243883 1.449764
H 4.445654 0.860469 2.861124
H -5.593632 0.053896 3.027200
H -6.871375 0.788034 1.991720
H -5.642083 1.826382 2.793229
H -4.238555 1.833569 -0.577407
H -4.915710 2.812741 0.739505
H -6.022084 1.848116 -0.304829


