%chk=000047618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047618

0 1
 O   -5.477500      -1.033000      -1.694100    
 O   -5.513500      0.8279000     -0.3958000    
 O  -0.7611000      0.2486000      -1.547900    
 O    1.949300     -0.5464000       2.022900    
 N   -2.763500      0.8796000     -0.5561000    
 N   0.7409000      -2.529300       2.059900    
 C   -3.246500      -1.255200      0.5877000    
 C   -1.829000      -1.249700       1.173300    
 C   -3.423000     -0.3961000     -0.6654000    
 C   -1.674200      -2.162000       2.394500    
 C  -0.2696000      -2.103400       2.988900    
 C   -4.892900     -0.1021000     -0.8947000    
 C   -1.469300       1.097900      -1.013100    
 C   -1.026600       2.529100     -0.7768000    
 C    1.782300      -1.704000       1.647200    
 C    2.704300      -2.408300      0.6705000    
 C   0.1943000       2.639400      9.7599998E-02
 C    2.790400      -1.724100     -0.6681000    
 C   5.3700000E-02   2.746800       1.481400    
 C    1.465900       2.633700     -0.4757000    
 C    1.901700      -2.069400      -1.686300    
 C    3.758500     -0.7446000     -0.8899000    
 C    1.184500       2.848700       2.291600    
 C    2.596800       2.735500      0.3346000    
 C    2.455900       2.843000       1.718200    
 C    1.981200      -1.435600      -2.926300    
 C    3.837900     -0.1107000      -2.129800    
 C    2.949200     -0.4562000      -3.148100    
 H   -3.934700     -0.9074000       1.370300    
 H   -3.551400      -2.284500      0.3598000    
 H   -1.552500     -0.2329000       1.474100    
 H   -1.127700      -1.567500      0.3936000    
 H   -3.017900     -0.9154000      -1.541800    
 H   -1.907200      -3.193900       2.104000    
 H   -2.399100      -1.872100       3.164300    
 H  -5.4699998E-02  -1.091700       3.349400    
 H  -0.2120000      -2.778300       3.849700    
 H   -3.263300       1.634900     -9.5700003E-02
 H   0.6955000      -3.487400       1.726400    
 H   -1.835000       3.134100     -0.3487000    
 H  -0.8250000       2.973600      -1.760100    
 H    2.409000      -3.454300      0.5242000    
 H    3.698200      -2.451900       1.134400    
 H   -6.433500     -0.8550000      -1.823300    
 H  -0.9318000       2.748600       1.939600    
 H    1.588800       2.548300      -1.552200    
 H    1.140600      -2.828000      -1.523900    
 H    4.454500     -0.4642000     -0.1038000    
 H    1.075100       2.930300       3.369000    
 H    3.587000       2.730400     -0.1114000    
 H    3.336400       2.920700       2.349100    
 H    1.287800      -1.703000      -3.718300    
 H    4.590100      0.6536000      -2.301800    
 H    3.009900      3.8699999E-02  -4.112900    


%chk=000047618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047618

0 1
O -5.645738 -0.503442 -0.261028
O -4.914653 1.662884 0.153534
O -1.122414 -0.184098 -1.979694
O 1.922622 -1.061972 1.309619
N -2.254506 0.884437 -0.254502
N 0.978777 -3.178783 1.523380
C -3.042603 -1.093717 1.109801
C -1.580930 -1.579471 1.205954
C -3.264243 -0.166844 -0.134564
C -1.373268 -2.639425 2.310111
C 0.120703 -2.832379 2.671090
C -4.651354 0.462067 -0.073435
C -1.225419 0.794440 -1.171572
C -0.217410 1.960336 -1.175910
C 1.843488 -2.269326 0.929509
C 2.735870 -2.868333 -0.175078
C -0.039524 2.672034 0.157476
C 3.039449 -1.922356 -1.329112
C -0.679965 3.912162 0.414342
C 0.760099 2.086071 1.176575
C 1.990199 -1.343613 -2.087541
C 4.379328 -1.629800 -1.682932
C -0.527938 4.560051 1.662874
C 0.912060 2.735245 2.421860
C 0.269858 3.972191 2.670842
C 2.277569 -0.497239 -3.180714
C 4.670624 -0.783871 -2.778222
C 3.618988 -0.216798 -3.533410
H -3.313673 -0.546940 2.036068
H -3.739806 -1.948274 1.020164
H -0.919351 -0.716988 1.408008
H -1.261152 -1.987785 0.228398
H -3.182311 -0.787264 -1.046558
H -1.826580 -3.605179 2.005251
H -1.895454 -2.327929 3.238465
H 0.524161 -1.888308 3.077906
H 0.227028 -3.615858 3.446339
H -2.311051 1.700072 0.362032
H 0.928673 -4.125859 1.143640
H -0.551296 2.671130 -1.956920
H 0.734927 1.525215 -1.524361
H 2.269640 -3.798148 -0.560883
H 3.684291 -3.171696 0.310119
H -6.541677 -0.075914 -0.184607
H -1.291460 4.378949 -0.368574
H 1.264379 1.127463 1.001009
H 0.940163 -1.527265 -1.831453
H 5.200337 -2.060672 -1.095986
H -1.025665 5.519483 1.844172
H 1.538071 2.275219 3.194775
H 0.394022 4.474064 3.637290
H 1.446720 -0.063551 -3.748365
H 5.713276 -0.567282 -3.037716
H 3.841317 0.438666 -4.383265


