%chk=000043420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043420

0 1
 O  -0.8291000       1.569900     -0.1882000    
 O    4.012200      -3.048100      5.8100000E-02
 O    3.226300      -1.592900      -1.497200    
 N  -2.6699999E-02 -0.4701000      0.3876000    
 C    1.014100      0.4217000      0.2916000    
 C    2.393800      0.2620000      0.4843000    
 C   0.5267000       1.671500     -6.1000001E-02
 C   -1.079900      0.2610000      9.5299996E-02
 C    3.010900      -1.043100      0.8653000    
 C    3.217700       1.383400      0.3094000    
 C    1.310300       2.804400     -0.2433000    
 C   -2.463900     -0.1205000      3.5399999E-02
 C    2.684200       2.628000     -4.7200002E-02
 C   -3.440700      0.8231000     -0.2949000    
 C   -2.841700      -1.438200      0.3085000    
 C    3.411300      -1.890800     -0.3252000    
 C   -4.784200      0.4522000     -0.3517000    
 C   -4.185100      -1.809300      0.2515000    
 C   -5.156300     -0.8640000     -7.8400001E-02
 H    2.299300      -1.622900       1.465100    
 H    3.900200     -0.8715000       1.483400    
 H    4.293500       1.297700      0.4482000    
 H   0.8878000       3.762400     -0.5191000    
 H    3.352400       3.476400     -0.1752000    
 H   -3.191900       1.858400     -0.5144000    
 H   -2.102800      -2.192800      0.5682000    
 H   -5.540900       1.187700     -0.6086000    
 H   -4.475200      -2.834000      0.4642000    
 H   -6.202300      -1.153000     -0.1227000    
 H    4.271100      -3.597700     -0.7121000    


%chk=000043420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043420

0 1
O -0.815064 1.707638 -0.218190
O 3.811458 -3.169654 0.081273
O 3.267807 -1.610475 -1.552410
N -0.012326 -0.384926 0.385106
C 1.073732 0.519344 0.288524
C 2.455225 0.306763 0.502589
C 0.586247 1.804689 -0.077399
C -1.095993 0.325335 0.085326
C 2.976873 -1.064132 0.867652
C 3.294394 1.432248 0.336053
C 1.403436 2.926501 -0.249853
C -2.490182 -0.101277 0.027713
C 2.785237 2.709112 -0.030992
C -3.524507 0.812681 -0.312486
C -2.812093 -1.456216 0.317825
C 3.342044 -1.914143 -0.346205
C -4.863018 0.372982 -0.359679
C -4.152061 -1.886441 0.268339
C -5.182021 -0.974932 -0.070041
H 2.218932 -1.630975 1.438506
H 3.876398 -1.002302 1.507325
H 4.373682 1.316206 0.488240
H 1.006027 3.903890 -0.534159
H 3.480819 3.546482 -0.149231
H -3.270862 1.853216 -0.536427
H -2.002975 -2.146963 0.575497
H -5.657866 1.079307 -0.622427
H -4.396445 -2.930466 0.491891
H -6.223468 -1.312945 -0.108220
H 4.037670 -3.719647 -0.717240


