%chk=000039544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039544

0 1
 O    3.505500      -1.553300     -0.5832000    
 O  -0.6719000      0.3191000       1.628200    
 N   -2.759100     -0.4276000      0.2763000    
 N   0.8382000     -0.7897000      0.2059000    
 C   -2.557000      0.8169000     -0.4788000    
 C   -3.961700      -1.137500     -0.1816000    
 C   -3.758700       1.751700     -0.3335000    
 C   -5.209400     -0.2665000     -2.6300000E-02
 C   -5.051600       1.062800     -0.7554000    
 C   -1.582700      -1.289900      0.1657000    
 C  -0.4279000     -0.4985000      0.7389000    
 C    1.173700      -2.119600     -0.3256000    
 C    1.904100      0.1761000      0.1071000    
 C    2.604200      -2.478900      1.4700000E-02
 C    3.185100     -0.2474000     -0.3015000    
 C    1.724000       1.547400      0.3460000    
 C    4.234100      0.6644000     -0.4714000    
 C    2.778900       2.455200      0.1916000    
 C    4.032100       2.015400     -0.2171000    
 H   -2.404000      0.5941000      -1.544000    
 H   -1.686800       1.396500     -0.1591000    
 H   -4.104100      -2.047300      0.4142000    
 H   -3.857500      -1.447500      -1.229800    
 H   -3.605800       2.649300     -0.9435000    
 H   -3.842900       2.083400      0.7092000    
 H   -5.396300     -7.9300001E-02   1.038800    
 H   -6.084000     -0.8000000     -0.4153000    
 H   -5.909300       1.711300     -0.5459000    
 H   -5.036600      0.8871000      -1.838000    
 H   -1.702600      -2.194900      0.7715000    
 H   -1.391000      -1.572300     -0.8753000    
 H    1.024100      -2.078200      -1.411300    
 H   0.4943000      -2.869300      9.1200002E-02
 H    2.773200      -2.503500       1.098900    
 H    2.842300      -3.472600     -0.3785000    
 H   0.7593000       1.954300      0.6322000    
 H    5.213600      0.3218000     -0.7950000    
 H    2.611500       3.511800      0.3814000    
 H    4.845700       2.723100     -0.3425000    


%chk=000039544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039544

0 1
O 3.560372 -1.792044 -0.120675
O -0.485213 1.210734 0.670103
N -2.798325 -0.209121 -0.012603
N 0.984678 -0.417410 -0.163418
C -3.106845 0.936001 -0.907091
C -3.891659 -1.213823 0.003863
C -4.414035 1.632261 -0.480106
C -5.217216 -0.574180 0.465438
C -5.587284 0.627369 -0.432755
C -1.495024 -0.821007 -0.283452
C -0.302571 0.086365 0.125720
C 1.187170 -1.759718 -0.766155
C 2.209751 0.316568 0.068963
C 2.283710 -2.508279 0.001119
C 3.454388 -0.391677 0.052343
C 2.255419 1.725502 0.261188
C 4.682430 0.286434 0.194834
C 3.485539 2.396080 0.413084
C 4.705611 1.682390 0.374078
H -3.203618 0.587353 -1.971872
H -2.269013 1.649674 -0.852085
H -3.607339 -2.030912 0.694922
H -4.044078 -1.671470 -1.011849
H -4.633429 2.457879 -1.184098
H -4.261673 2.076177 0.521851
H -5.097969 -0.231442 1.511042
H -6.018116 -1.338544 0.448539
H -6.506311 1.118557 -0.061004
H -5.805761 0.265849 -1.459498
H -1.439039 -1.761799 0.300984
H -1.373557 -1.107245 -1.364324
H 1.488555 -1.655440 -1.826845
H 0.260560 -2.346694 -0.727438
H 2.011721 -2.603696 1.070971
H 2.465385 -3.506680 -0.428516
H 1.318640 2.279031 0.309638
H 5.600682 -0.308411 0.170845
H 3.484363 3.480681 0.563460
H 5.662101 2.202586 0.489999


