%chk=000153061.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153061

0 1
 O    2.499800      -3.640700     -0.6856000    
 O   0.6328000      -2.503800     -0.8877000    
 N   -2.294500      0.3270000     -0.9651000    
 N    1.958900       2.180100      0.5143000    
 N   -4.307600      -1.639000       1.371700    
 N    1.849800      -2.574000     -0.6021000    
 C  -0.1249000       1.228000     -0.2209000    
 C   -1.487600       1.401500     -0.5193000    
 C   -3.719200      0.3454000     -0.8805000    
 C   -4.288300      -1.064200      -1.038800    
 C   0.6511000       2.313300      0.2202000    
 C    1.862400     -0.1580000     -4.5200001E-02
 C   0.5049000     -1.4100000E-02 -0.3491000    
 C    2.560700      0.9814000      0.3891000    
 C   -3.855700      -2.052300      4.8799999E-02
 C   -2.084900       2.650800     -0.3813000    
 C   2.9800000E-02   3.552500      0.3500000    
 C    2.520800      -1.394300     -0.1649000    
 C   -1.324200       3.728300      5.4200001E-02
 C    3.912400      0.8444000      0.6933000    
 C    3.872900      -1.504600      0.1455000    
 C    4.569800     -0.3827000      0.5754000    
 C   -3.939400      -2.624900       2.378100    
 H   -4.058600      0.7570000      7.7600002E-02
 H   -4.131800      0.9758000      -1.677200    
 H   -3.985100      -1.469300      -2.012900    
 H   -5.383900      -1.002000      -1.057100    
 H   -1.851300     -0.4413000      -1.451900    
 H  -0.1625000     -0.7887000     -0.6538000    
 H   -2.764600      -2.159400      3.8400002E-02
 H   -4.279700      -3.033600     -0.1988000    
 H   -3.129700       2.831000     -0.6143000    
 H   0.6046000       4.412600      0.6888000    
 H   -1.779100       4.708600      0.1625000    
 H    4.480500       1.708800       1.032400    
 H    4.421400      -2.439400      6.7500003E-02
 H   -5.320600      -1.523400       1.366700    
 H    5.625300     -0.4570000      0.8204000    
 H   -2.853000      -2.750400       2.431100    
 H   -4.403600      -3.596400       2.179000    
 H   -4.279000      -2.285400       3.361500    


%chk=000153061-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153061

0 1
O 3.232396 -3.628387 -1.076347
O 1.127443 -2.783324 -1.100525
N -2.196847 0.123159 -0.715018
N 2.113938 2.204485 0.508542
N -5.129526 -1.562028 1.158324
N 2.402675 -2.652399 -0.894551
C -0.010282 1.095105 -0.113902
C -1.460603 1.214685 -0.283157
C -3.653278 0.138165 -0.915446
C -4.186783 -1.292579 -1.125889
C 0.753681 2.259356 0.341535
C 2.098023 -0.184715 -0.204993
C 0.688779 -0.103981 -0.368340
C 2.773238 1.035204 0.245968
C -4.184277 -2.128265 0.174601
C -2.070754 2.452898 0.010114
C 0.082598 3.490883 0.629203
C 2.937655 -1.344587 -0.435114
C -1.300553 3.565015 0.463622
C 4.198491 1.041194 0.437119
C 4.323340 -1.301578 -0.238656
C 4.956649 -0.102829 0.199782
C -5.021535 -2.116837 2.521659
H -4.147096 0.553664 -0.015653
H -3.918419 0.781367 -1.782834
H -3.593539 -1.813831 -1.905486
H -5.221607 -1.228487 -1.516380
H -1.702920 -0.712668 -1.026231
H 0.176676 -1.009996 -0.691112
H -3.174066 -2.104265 0.628381
H -4.395770 -3.197856 -0.074782
H -3.149674 2.573093 -0.115916
H 0.682518 4.338079 0.969640
H -1.822566 4.504298 0.679572
H 4.647625 1.979968 0.774587
H 4.904726 -2.207114 -0.429538
H -6.096433 -1.588262 0.806644
H 6.040911 -0.093376 0.346665
H -4.026016 -1.875122 2.937087
H -5.151982 -3.224696 2.582487
H -5.777739 -1.645836 3.174338


