%chk=000114064.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114064

0 1
 O  -0.4626000     -0.7743000       2.403800    
 O    2.081100     -0.9161000      -1.713700    
 O    4.179100      0.4229000     -0.6702000    
 N   -3.080000       1.401800     -0.6744000    
 C  -0.6954000     -0.6142000     -0.7705000    
 C   -1.791100     -0.4822000      0.2956000    
 C   -2.014400       1.054800      0.2674000    
 C   -1.350100      8.9999996E-03  -2.104400    
 C  -0.3933000      -2.117600     -0.9878000    
 C   -1.546600      -1.249600       1.621600    
 C   0.5304000      0.2338000     -0.2438000    
 C   -1.053400       1.765900       1.207700    
 C   -2.848800      0.5727000      -1.919700    
 C  -0.1223000      -2.882900      0.3103000    
 C   -1.273100      -2.726300       1.307600    
 C   0.3597000       1.307900      0.7256000    
 C    1.824900     -3.2200001E-02 -0.7086000    
 C   -4.412800       1.233100     -0.1200000    
 C    1.474200       1.999900       1.212600    
 C    2.919500      0.6818000     -0.2124000    
 C    2.747400       1.681100      0.7467000    
 C    4.927800     -0.5691000      2.6799999E-02
 H   -2.690700     -0.9951000     -7.7500001E-02
 H   -2.711900       1.050400       1.124300    
 H   -1.365100     -0.7333000      -2.911100    
 H  -0.7256000      0.8411000      -2.454300    
 H   0.3928000      -2.314800      -1.716800    
 H   -1.286800      -2.576500      -1.437900    
 H   -2.446300      -1.170600       2.243200    
 H   -1.177800       1.552200       2.275700    
 H   -1.132500       2.849300       1.058600    
 H   -3.098800       1.187200      -2.791900    
 H   -3.527800     -0.2903000      -1.936900    
 H   0.8170000      -2.543600      0.7613000    
 H   7.1999999E-03  -3.946800      7.9899997E-02
 H   -2.177400      -3.190000      0.8949000    
 H   -1.018800      -3.269300       2.225600    
 H   -4.620500      0.2123000      0.2203000    
 H   -5.162300       1.483400     -0.8800000    
 H   -4.589600       1.925300      0.7120000    
 H  -0.4361000      -1.294500       3.224800    
 H    1.353600       2.798600       1.939200    
 H    3.606200       2.230900       1.123300    
 H    3.029000     -0.8954000      -1.929300    
 H    5.887600     -0.6945000     -0.4817000    
 H    4.401800      -1.529100      2.2500001E-02
 H    5.116900     -0.2506000       1.056800    


%chk=000114064-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114064

0 1
O -0.915796 -1.219113 2.646025
O 1.967291 -1.274163 -1.624181
O 4.028405 0.090318 -0.832066
N -2.546187 1.387773 -0.592239
C -0.811877 -0.937098 -0.589031
C -2.001449 -0.832182 0.419488
C -2.293765 0.660965 0.698408
C -1.294456 -0.272243 -1.950725
C -0.536838 -2.454624 -0.842455
C -1.927132 -1.722599 1.687937
C 0.406952 -0.126402 -0.081721
C -1.111536 1.321778 1.435416
C -2.598065 0.545716 -1.801030
C -0.332196 -3.267944 0.451482
C -1.604561 -3.188389 1.321531
C 0.243357 0.954278 0.844210
C 1.707573 -0.322320 -0.613896
C -3.622629 2.382612 -0.499886
C 1.354694 1.730507 1.242622
C 2.816788 0.459559 -0.187342
C 2.656241 1.488829 0.751683
C 5.229052 0.845298 -0.486028
H -2.883878 -1.249794 -0.111861
H -3.200672 0.727392 1.345699
H -1.453191 -1.059274 -2.713225
H -0.497660 0.391468 -2.326859
H 0.323205 -2.570608 -1.517023
H -1.429529 -2.860251 -1.366151
H -2.924290 -1.674510 2.184190
H -1.127708 1.022110 2.498460
H -1.240269 2.420594 1.386672
H -2.707903 1.214328 -2.677071
H -3.491025 -0.135649 -1.819739
H 0.536411 -2.871596 1.011705
H -0.107290 -4.322612 0.201582
H -2.458923 -3.620735 0.761552
H -1.500300 -3.787097 2.251476
H -4.642841 1.933657 -0.376631
H -3.636256 3.009586 -1.410830
H -3.445134 3.049648 0.363759
H -0.731596 -1.940475 3.299820
H 1.196679 2.549289 1.954502
H 3.499865 2.102047 1.082725
H 2.937992 -1.208355 -1.840005
H 6.039639 0.405730 -1.086267
H 5.463543 0.744554 0.591381
H 5.111566 1.916495 -0.740862


