%chk=000132159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132159

0 1
 O    4.312000      0.4876000      0.7860000    
 O   0.6361000      -1.012700      0.2614000    
 O   -3.217000       1.498400      -1.007500    
 O    3.426400      0.5063000      -1.333000    
 O   0.1581000      -2.524800      -1.444900    
 O   -5.054400       2.710900      -1.626400    
 N    3.217100      -1.337600      6.0300000E-02
 C    4.802800       1.818000      0.5862000    
 C    3.615100       2.736900      0.3035000    
 C    5.517100       2.242100       1.867600    
 C    5.775100       1.806100     -0.5923000    
 C    2.472900      -2.191000     -0.8299000    
 C   -3.462300     -0.2818000      0.6471000    
 C    3.631900     -6.0600001E-02 -0.2649000    
 C   -2.666700      0.4654000     -0.2226000    
 C   -4.895600      2.9100001E-02  0.7323000    
 C  -0.6973000     -0.7720000      0.3844000    
 C   0.9723000      -1.952500     -0.7269000    
 C    2.794400      -3.651400     -0.5535000    
 C   -1.297000      0.2352000     -0.3643000    
 C   -2.839200      -1.291900       1.392200    
 C   -1.467000      -1.534600       1.261100    
 C   -5.391600       1.017200     -2.5800001E-02
 C   -5.777900     -0.7560000       1.658300    
 C   -4.565400       1.814000     -0.9483000    
 H    2.788300       2.534000      0.9942000    
 H    3.906200       3.786800      0.4284000    
 H    3.213700       2.663200     -0.7104000    
 H    6.339400       1.555300       2.099200    
 H    4.833400       2.205700       2.723500    
 H    5.923700       3.255800       1.792000    
 H    5.299600       1.745700      -1.574400    
 H    6.368800       2.728000     -0.6075000    
 H    6.469600      0.9611000     -0.5184000    
 H    2.760300      -1.933900      -1.856400    
 H    3.406400      -1.667400       1.002300    
 H    2.270600      -4.310400      -1.254200    
 H    3.869300      -3.840400     -0.6468000    
 H    2.491200      -3.939000      0.4598000    
 H  -0.7064000      0.8360000      -1.050300    
 H   -3.401400      -1.910000       2.087400    
 H   -1.005900      -2.323300       1.850100    
 H   -6.446000       1.274100      1.1700000E-02
 H   -5.444300     -0.6505000       2.696100    
 H   -5.775300      -1.818100       1.390700    
 H   -6.818700     -0.4156000       1.617700    


%chk=000132159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132159

0 1
O 4.034527 0.693920 0.404921
O 0.716728 -1.544127 0.377673
O -2.411284 1.596813 2.045800
O 3.408840 -0.330297 -1.650285
O 0.613324 -3.440308 -1.018516
O -3.811801 3.205592 2.925711
N 3.395243 -1.474732 0.389761
C 4.333439 2.059921 -0.204890
C 3.047647 2.627338 -0.838619
C 4.760876 2.870058 1.030770
C 5.484845 1.923723 -1.221105
C 2.799405 -2.682704 -0.163649
C -3.315327 -0.211541 0.626196
C 3.594782 -0.355904 -0.403830
C -2.225589 0.447152 1.274455
C -4.658005 0.345562 0.780256
C -0.659463 -1.180646 0.401974
C 1.265227 -2.618044 -0.346550
C 3.154875 -3.921814 0.692789
C -0.905754 -0.026151 1.167623
C -3.016702 -1.375012 -0.135555
C -1.709684 -1.874188 -0.260028
C -4.826643 1.484113 1.545271
C -5.838069 -0.319559 0.108157
C -3.737830 2.180998 2.222485
H 2.228622 2.650179 -0.097646
H 3.232467 3.662995 -1.177869
H 2.733535 2.022445 -1.703674
H 5.642395 2.411320 1.511030
H 3.942570 2.913449 1.769943
H 5.019511 3.901407 0.731585
H 5.178078 1.312917 -2.084698
H 5.775834 2.927077 -1.582457
H 6.367096 1.459759 -0.745346
H 3.193525 -2.820475 -1.187054
H 3.465084 -1.359342 1.401319
H 2.703412 -4.827006 0.255415
H 4.250034 -4.048223 0.722892
H 2.782932 -3.813686 1.728531
H -0.088158 0.498186 1.667030
H -3.828216 -1.903559 -0.645256
H -1.498944 -2.765446 -0.849976
H -5.814790 1.931569 1.683631
H -5.960793 -1.362079 0.457257
H -5.702336 -0.357887 -0.989017
H -6.773064 0.223640 0.318347


