%chk=000087071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087071

0 1
 O   0.7740000       1.889900      -1.792400    
 O    1.171600      -2.191700      0.5227000    
 O    2.699100      -2.754700      -1.046400    
 O   -4.655000      -2.609600      0.4327000    
 N    1.197600      0.3927000     -7.2300002E-02
 N   7.5999998E-02   3.537100      0.5151000    
 C    3.578800      0.1414000     -0.6854000    
 C    4.273700      7.2499998E-02  0.6936000    
 C    2.149800     -0.4118000     -0.7930000    
 C  -0.4094000       2.173100      0.3029000    
 C    4.502500      -1.350100       1.199200    
 C    3.439100      0.8496000       1.718800    
 C   -1.815900       2.208500     -0.3128000    
 C   0.5779000       1.497000     -0.6434000    
 C    2.060100      -1.891400     -0.4546000    
 C   -2.575800      0.9183000     -0.1130000    
 C   -2.472800     -8.3600000E-02  -1.064000    
 C   -3.361500      0.7626000       1.017200    
 C   -3.175300      -1.274500     -0.8796000    
 C   -4.063800     -0.4284000       1.201500    
 C   -3.970800      -1.446900      0.2532000    
 H    4.212600     -0.4000000      -1.400800    
 H    3.579600       1.188000      -1.019000    
 H    5.249700      0.5635000      0.5914000    
 H    1.856700     -0.3572000      -1.850400    
 H  -0.4292000       1.669100       1.275600    
 H   0.9159000      9.0300001E-02  0.8548000    
 H    4.943800      -1.981200      0.4216000    
 H    5.208600      -1.330600       2.037800    
 H    3.594500      -1.824700       1.577300    
 H    4.056800       1.055700       2.601500    
 H    2.576900      0.2858000       2.083200    
 H    3.112500       1.819100       1.329600    
 H   -1.780400       2.450900      -1.383600    
 H   -2.404000       3.017500      0.1438000    
 H    1.028100       3.514500      0.8784000    
 H   0.1120000       4.038800     -0.3713000    
 H   -1.856600      4.0800001E-02  -1.949700    
 H   -3.438400       1.548800       1.762700    
 H    1.127300      -3.156500      0.6943000    
 H   -3.093900      -2.060400      -1.625700    
 H   -4.681100     -0.5571000       2.086500    
 H   -4.474700      -3.200700     -0.3185000    


%chk=000087071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087071

0 1
O 0.918758 2.135261 -1.565517
O 0.553053 -1.878213 1.019026
O 1.551467 -2.898496 -0.815460
O -3.340336 -3.142777 0.129343
N 0.893361 0.566719 0.151229
N -0.106448 4.077279 0.364587
C 3.166447 -0.219110 -0.750811
C 4.057957 -0.226735 0.522359
C 1.621013 -0.441668 -0.634568
C -0.445964 2.644445 0.423069
C 4.046021 -1.573211 1.287683
C 3.787793 0.956583 1.485024
C -1.899098 2.439378 -0.122583
C 0.524486 1.768606 -0.409831
C 1.265192 -1.856590 -0.191788
C -2.347588 0.987333 -0.098960
C -2.222448 0.164885 -1.246749
C -2.839413 0.394392 1.094719
C -2.553344 -1.207427 -1.208124
C -3.173466 -0.973793 1.154282
C -3.017868 -1.776848 0.001296
H 3.533676 -1.001329 -1.444545
H 3.283325 0.753219 -1.265325
H 5.088380 -0.088592 0.128369
H 1.255739 -0.357439 -1.679971
H -0.422098 2.326227 1.484004
H 0.460713 0.257170 1.025154
H 4.222445 -2.428711 0.609976
H 4.836212 -1.581703 2.061337
H 3.082122 -1.736237 1.804523
H 4.580946 1.014176 2.254201
H 2.820902 0.841906 2.005963
H 3.766140 1.919328 0.941459
H -1.922009 2.836832 -1.155215
H -2.553987 3.079170 0.495682
H 0.736316 4.310512 0.904549
H 0.003301 4.384595 -0.612099
H -1.849913 0.601647 -2.181195
H -2.968033 1.014531 1.990869
H 0.282442 -2.808456 1.242894
H -2.446631 -1.824958 -2.109860
H -3.557111 -1.431307 2.071278
H -3.255854 -3.606195 -0.740773


