%chk=000088392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088392

0 1
 O   0.9219000       2.560600      0.6633000    
 O    3.217000      -2.090400     -0.6192000    
 O   -3.435400      -1.018900       1.785000    
 N   -3.809600     -0.6014000     -0.4650000    
 N   0.9600000      -3.395000     -0.5041000    
 N   -1.438600       1.505400      0.8436000    
 C   0.6008000      0.2448000      0.2638000    
 C    1.201400     -0.9704000     -7.1900003E-02
 C  -0.7780000      0.3003000      0.5002000    
 C   0.4234000      -2.130200     -0.1705000    
 C   -1.549700     -0.8578000      0.4008000    
 C    2.863400       1.403200      0.1191000    
 C    3.464000      0.1881000     -0.2169000    
 C    1.409900       1.476000      0.3718000    
 C    2.655000      -1.043000     -0.3248000    
 C  -0.9502000      -2.070400      6.6299997E-02
 C   -5.251000     -0.5328000     -0.3852000    
 C   -2.988500     -0.8430000      0.6402000    
 C   -5.751800      0.8811000     -0.1092000    
 C    3.641500       2.563000      0.2178000    
 C    4.842700      0.1327000     -0.4541000    
 C   -5.358100       1.869500      -1.209300    
 C    5.015000       2.503400     -1.9600000E-02
 C    5.614300       1.290800     -0.3547000    
 C   0.4019000      -4.621300     -2.9800000E-02
 C   -5.921300       3.255800     -0.9376000    
 H   -1.580900      -2.952100     -1.5100000E-02
 H   -5.646600     -0.9009000      -1.337700    
 H   -5.596300      -1.207100      0.4059000    
 H   -5.354500       1.231500      0.8515000    
 H   -6.844100      0.8547000     -1.5300000E-02
 H   -3.377900     -0.4558000      -1.373200    
 H    3.200900       3.521900      0.4773000    
 H    5.336200     -0.7990000     -0.7172000    
 H    1.911800      -3.418700     -0.8497000    
 H   -5.728800       1.514700      -2.177900    
 H   -4.267100       1.941400      -1.284500    
 H   -2.437500       1.521700      0.9981000    
 H  -0.9223000       2.369600      0.9242000    
 H    5.618200       3.403500      5.7000000E-02
 H    6.683900       1.247200     -0.5390000    
 H   -5.545200       3.652600      1.0800000E-02
 H   -5.629000       3.946400      -1.734700    
 H   -7.014800       3.233200     -0.8919000    
 H  -0.5331000      -4.866000     -0.5436000    
 H   0.2284000      -4.597200       1.051300    
 H    1.098800      -5.441900     -0.2297000    


%chk=000088392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088392

0 1
O 1.767895 2.574830 1.828790
O 2.989607 -1.892018 -1.210026
O -3.191313 0.820233 2.171674
N -3.826492 -0.500610 0.376715
N 0.557350 -2.706331 -1.089244
N -0.706316 1.838047 1.995845
C 0.964985 0.554727 0.743307
C 1.292822 -0.606590 -0.049273
C -0.388949 0.772480 1.204573
C 0.263749 -1.567942 -0.372100
C -1.424504 -0.169319 0.797733
C 3.393901 1.292257 0.618133
C 3.712512 0.147233 -0.166172
C 2.009398 1.525359 1.103859
C 2.667136 -0.841833 -0.511146
C -1.076255 -1.306348 0.063937
C -5.266950 -0.337725 0.652725
C -2.859818 0.086554 1.173402
C -5.923218 0.810922 -0.150297
C 4.413048 2.225023 0.942231
C 5.044177 -0.051508 -0.616108
C -5.910684 0.597833 -1.681260
C 5.730207 2.021811 0.491700
C 6.047423 0.878863 -0.290930
C -0.413637 -3.732747 -1.452646
C -6.625166 1.735253 -2.442770
H -1.843293 -2.053638 -0.161787
H -5.773539 -1.296416 0.427097
H -5.361685 -0.138092 1.733340
H -5.414319 1.760495 0.103945
H -6.972317 0.909560 0.195693
H -3.547043 -0.939594 -0.500597
H 4.138379 3.094456 1.546936
H 5.256997 -0.942188 -1.214820
H 1.563685 -2.769977 -1.362328
H -6.396853 -0.370924 -1.921140
H -4.862906 0.526376 -2.038745
H -1.658524 1.873283 2.383455
H 0.072967 2.480629 2.224231
H 6.513129 2.745125 0.744480
H 7.074016 0.723237 -0.639972
H -6.142496 2.709519 -2.240602
H -6.604119 1.567212 -3.534916
H -7.683930 1.814868 -2.132506
H -1.221751 -3.337178 -2.102366
H -0.884320 -4.199310 -0.563445
H 0.107118 -4.526098 -2.012003


