%chk=000149127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149127

0 1
 O    4.250500       1.696500      0.5776000    
 O    4.343600      -2.194400      -1.524500    
 O   -4.308100       2.943400     -0.6708000    
 O   -3.372500      -4.053500     -0.2321000    
 N    3.326100     -0.4174000      0.4570000    
 N    2.236600      -1.220700      0.3366000    
 N    1.776000       4.169200      0.1732000    
 C   0.8281000      0.8086000      0.1465000    
 C    1.082000     -0.6584000      0.2020000    
 C  -0.5197000       1.369200     -6.8599999E-02
 C    1.917300       1.586000      0.2684000    
 C  -8.7899998E-02  -1.550700      8.7800004E-02
 C    4.585500      -1.126500      0.6134000    
 C    3.265400      0.9667000      0.4500000    
 C  -0.9841000       1.582400      -1.364200    
 C   -1.322100       1.682400       1.026000    
 C  -0.4999000      -1.989400      -1.165500    
 C  -0.7678000      -1.944600       1.235100    
 C    5.212000      -1.379500     -0.7472000    
 C   -2.258400       2.112200      -1.566600    
 C   -2.596600       2.212100      0.8237000    
 C   -1.605800      -2.832500      -1.273300    
 C   -1.873800      -2.787900       1.127500    
 C   -3.064800       2.427000     -0.4727000    
 C   -2.292800      -3.231900     -0.1267000    
 C    1.839400       3.011800      0.2159000    
 C   -5.079900       3.242700      0.4914000    
 C   -4.028300      -4.422900      0.9800000    
 H    4.390100      -2.071200       1.134500    
 H    5.265700     -0.5284000       1.228900    
 H  -0.3672000       1.341800      -2.226400    
 H  -0.9699000       1.519200       2.041700    
 H   2.9400000E-02  -1.685000      -2.064500    
 H  -0.4479000      -1.603400       2.216100    
 H    6.164700      -1.905700     -0.6374000    
 H    5.392600     -0.4478000      -1.293100    
 H   -2.617600       2.277100      -2.578600    
 H   -3.170000       2.433500       1.717300    
 H   -1.927700      -3.174800      -2.253000    
 H   -2.361100      -3.058500       2.057900    
 H    3.498700      -1.720500      -1.610100    
 H   -4.606400       4.021200       1.099300    
 H   -5.300500       2.340100       1.071300    
 H   -6.038900       3.644400      0.1480000    
 H   -4.457100      -3.551900       1.487100    
 H   -3.367600      -5.001000       1.635000    
 H   -4.862900      -5.078100      0.7094000    


%chk=000149127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149127

0 1
O 4.286264 1.963702 0.744042
O 4.095644 -3.037573 -0.653053
O -4.523094 3.023645 -0.277912
O -2.756042 -4.761792 -0.494512
N 3.365998 -0.135279 0.236109
N 2.311131 -0.989077 0.061710
N 1.646904 4.361123 0.769124
C 0.764903 0.903246 0.279349
C 1.047077 -0.516936 0.085553
C -0.617918 1.443183 0.185418
C 1.866297 1.753036 0.498003
C 0.004257 -1.571429 -0.064712
C 4.716138 -0.763829 0.181247
C 3.257098 1.261683 0.525500
C -1.449453 1.114336 -0.926038
C -1.128987 2.331102 1.166328
C 0.190036 -2.620115 -1.010272
C -1.142865 -1.612516 0.767342
C 4.825643 -1.805756 -0.946774
C -2.733027 1.661747 -1.053390
C -2.426508 2.872350 1.062981
C -0.743751 -3.660064 -1.132201
C -2.085893 -2.655543 0.662366
C -3.231381 2.542500 -0.056814
C -1.888807 -3.683521 -0.294474
C 1.728331 3.174124 0.646799
C -5.078596 3.971928 0.695719
C -3.951694 -4.843206 0.351126
H 4.918477 -1.251160 1.153855
H 5.432731 0.064317 0.052893
H -1.077162 0.439303 -1.702710
H -0.516407 2.593654 2.035168
H 1.069665 -2.608309 -1.662821
H -1.301628 -0.830633 1.516281
H 5.883753 -2.100629 -1.049793
H 4.494497 -1.351724 -1.906156
H -3.367780 1.428976 -1.913118
H -2.787661 3.546713 1.844362
H -0.609928 -4.462912 -1.862910
H -2.955217 -2.657838 1.326084
H 3.182065 -2.748926 -0.370325
H -4.459611 4.886843 0.759326
H -5.169707 3.509877 1.697437
H -6.076890 4.223371 0.310150
H -4.607023 -3.962885 0.205687
H -3.680346 -4.935136 1.420391
H -4.473131 -5.753073 0.020936


