%chk=000031745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031745

0 1
 O    1.032400       1.767700      9.3999997E-02
 O  -0.3124000      -1.579700      0.1138000    
 O  -6.7500003E-02   1.156200       2.037600    
 O   -3.854700      -1.061900      0.4666000    
 O   -1.714000      -1.681600       1.939700    
 O   -2.997300      -3.442100     -0.6091000    
 N    3.682800     -0.2739000      -1.002500    
 C    2.283900     -0.2375000     -0.4773000    
 C    2.200600       1.002000      0.4227000    
 C    3.442000       1.796600      4.7300000E-02
 C    4.454700      0.7027000     -0.2211000    
 C    2.067000      -1.557400      0.2024000    
 C    4.164100      -1.658000     -0.8101000    
 C    3.124500      -2.350400      5.5999998E-03
 C   0.8197000      -1.901800      0.9396000    
 C  -2.4900001E-02   1.696900      0.9433000    
 C   -2.618800      -1.109900     -0.2497000    
 C   -1.210800       2.296200      0.2914000    
 C   -1.521200      -1.491400      0.7447000    
 C   -2.456600       1.454200      0.1995000    
 C   -2.340900      0.2931000     -0.7844000    
 C   -2.755600      -2.228900      -1.292200    
 C   -1.122500       3.565800     -0.1287000    
 C   -2.041800      0.5441000      -2.072800    
 C   -2.232600       4.299100     -0.8002000    
 H    1.596900     -0.1550000      -1.329200    
 H    2.242500      0.7476000       1.489600    
 H    3.754200       2.467800      0.8535000    
 H    3.267400       2.411200     -0.8450000    
 H    5.317600       1.071800     -0.7832000    
 H    4.806800      0.2900000      0.7333000    
 H    5.144700      -1.705700     -0.3240000    
 H    4.250000      -2.148700      -1.785800    
 H    3.217700      -3.363700      0.3681000    
 H   0.7817000      -2.972400       1.169900    
 H   0.7836000      -1.339600       1.878500    
 H   -2.659600       1.069000       1.207600    
 H   -3.354900       2.031200     -4.3600000E-02
 H   -1.848900      -2.354100      -1.893200    
 H   -3.607800      -2.044300      -1.955500    
 H  -0.2017000       4.126200      1.6500000E-02
 H   -4.062200      -1.962100      0.7711000    
 H   -1.958300     -0.2398000      -2.815800    
 H   -1.873600       1.555100      -2.428400    
 H   -2.763100       4.926200     -7.7500001E-02
 H   -2.950700       3.655000      -1.312000    
 H   -1.811900       4.958300      -1.567700    
 H   -3.090300      -4.138100      -1.281700    


%chk=000031745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031745

0 1
O 1.123145 1.922925 0.153859
O -0.330270 -1.588777 0.067737
O -0.111314 0.813646 1.790464
O -3.937196 -1.072385 0.512609
O -1.775600 -2.032866 1.844427
O -3.041970 -3.482293 -0.693751
N 3.783163 -0.274133 -0.900127
C 2.355176 -0.191474 -0.405300
C 2.307170 1.086179 0.501828
C 3.575706 1.870523 0.125372
C 4.593911 0.756562 -0.187911
C 2.094136 -1.564223 0.226886
C 4.260443 -1.682960 -0.760592
C 3.153522 -2.386800 0.007173
C 0.838372 -1.939481 0.954711
C -0.069430 1.616825 0.823258
C -2.706818 -1.144781 -0.272808
C -1.271680 2.280279 0.233801
C -1.567097 -1.631133 0.679492
C -2.507760 1.393165 0.269031
C -2.426916 0.271957 -0.787348
C -2.866552 -2.200255 -1.390348
C -1.180738 3.547618 -0.266453
C -2.132128 0.543360 -2.083340
C -2.293922 4.371529 -0.863349
H 1.646605 -0.023931 -1.242079
H 2.257624 0.829253 1.574280
H 3.913212 2.549301 0.925769
H 3.366278 2.465287 -0.780892
H 5.423588 1.119327 -0.820545
H 5.036621 0.359105 0.758828
H 5.235947 -1.722430 -0.229695
H 4.415611 -2.158518 -1.751576
H 3.212220 -3.438452 0.305303
H 0.793613 -3.019568 1.176515
H 0.698916 -1.365466 1.888212
H -2.611255 0.941102 1.270206
H -3.425784 1.981141 0.099469
H -1.963789 -2.228218 -2.030568
H -3.760644 -1.933381 -1.987375
H -0.194847 4.032651 -0.230019
H -3.877156 -1.772504 1.218159
H -2.076993 -0.226147 -2.859536
H -1.912185 1.568124 -2.402799
H -2.457568 5.293764 -0.272044
H -3.249939 3.826496 -0.922238
H -2.021917 4.700654 -1.885602
H -3.333307 -4.174596 -1.335493


