%chk=000048557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048557

0 1
 O    1.902300     -0.4135000       2.052100    
 O  -2.9700000E-02  -1.127200      -2.094000    
 O    2.617700       2.550400      -1.453000    
 N    2.160900       1.209000      0.4028000    
 N    1.244500      0.7446000      -1.726800    
 C   0.3520000     -0.4535000      0.2021000    
 C  -0.8693000      0.3954000      0.5992000    
 C   -2.167500     -9.0800002E-02 -7.1800001E-02
 C   9.1899998E-02  -1.917800      0.5897000    
 C    1.552100      8.2999997E-02  0.9801000    
 C   0.5075000     -0.3500000      -1.306300    
 C   -1.035100      0.3805000       2.120900    
 C   -3.393900      0.7533000      0.2879000    
 C   -4.646000      0.2418000     -0.4264000    
 C    1.257500      -2.776300      0.2268000    
 C    2.037900       1.585000     -0.9489000    
 C    3.113500       1.955000       1.216500    
 C   -5.875000       1.051600     -4.5100000E-02
 C    1.179000      -3.820300     -0.6059000    
 H  -0.7070000       1.439700      0.2978000    
 H   -2.402100      -1.120600      0.2141000    
 H   -2.065900     -7.0299998E-02  -1.161400    
 H  -0.7964000      -2.327700      9.8999999E-02
 H  -6.0699999E-02  -2.042100       1.667400    
 H   -1.376300     -0.5853000       2.505100    
 H  -0.1401000      0.6817000       2.669000    
 H   -1.785700       1.118500       2.426000    
 H   -3.214600       1.801000      1.8999999E-02
 H   -3.584900      0.7177000       1.365300    
 H    1.253000      0.9233000      -2.727200    
 H   -4.502900      0.2940000      -1.512000    
 H   -4.818200     -0.8105000     -0.1718000    
 H    2.221400      -2.574100      0.6851000    
 H    3.091000       3.016500      0.9531000    
 H    4.115000       1.562600       1.014400    
 H    2.892300       1.843000       2.281700    
 H   -6.757100      0.6713000     -0.5698000    
 H   -6.067600      0.9904000       1.030800    
 H   -5.748600       2.105500     -0.3126000    
 H    2.057800      -4.419100     -0.8191000    
 H   0.2480000      -4.096200      -1.088500    


%chk=000048557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048557

0 1
O 1.959212 -0.466096 2.054155
O -0.240227 -0.967771 -2.142390
O 2.567117 2.634902 -1.370559
N 2.167330 1.179276 0.429420
N 1.117020 0.842650 -1.684189
C 0.317227 -0.531044 0.228150
C -0.953901 0.320339 0.757691
C -2.295683 -0.259415 0.226235
C 0.152943 -2.055593 0.513169
C 1.551517 0.018178 0.965813
C 0.379402 -0.286505 -1.285263
C -0.975067 0.450977 2.299457
C -3.438825 0.783670 0.213943
C -4.772717 0.191587 -0.297188
C 1.382006 -2.877352 0.169645
C 1.978817 1.628942 -0.897063
C 3.197729 1.877668 1.235718
C -5.915724 1.228352 -0.331454
C 1.453293 -3.748784 -0.867404
H -0.835104 1.340520 0.332446
H -2.595941 -1.120498 0.856723
H -2.169740 -0.647304 -0.802015
H -0.707543 -2.415930 -0.073701
H -0.076220 -2.177320 1.587384
H -0.954092 -0.536211 2.794097
H -0.126551 1.037514 2.690101
H -1.904008 0.962582 2.607325
H -3.148593 1.637849 -0.433621
H -3.597212 1.200538 1.229374
H 1.075025 1.101702 -2.675273
H -4.618678 -0.227340 -1.312180
H -5.063836 -0.661122 0.349705
H 2.248197 -2.746634 0.833354
H 3.163579 2.950849 0.998358
H 4.204827 1.491738 1.001953
H 2.984840 1.695005 2.298525
H -6.857602 0.778445 -0.695066
H -6.106864 1.643268 0.676307
H -5.665844 2.073738 -1.000009
H 2.361911 -4.329385 -1.065082
H 0.608677 -3.896486 -1.551289


