%chk=000100472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100472

0 1
 O    2.181800      0.6651000       1.634500    
 N    3.211100      0.7753000     -0.4731000    
 N    5.177600     -0.1893000      -1.364800    
 C  -0.2084000       1.404100     -9.2699997E-02
 C   -2.776800      0.3153000     -6.8800002E-02
 C    1.164600       1.986400     -0.1057000    
 C  -0.6609000      0.6603000      -1.182600    
 C   -1.040100       1.603400       1.009100    
 C   -4.108600     -0.2501000     -5.6000002E-02
 C   -1.945200      0.1160000      -1.170600    
 C   -2.324300       1.059000       1.021200    
 C    2.233900       1.065100      0.4759000    
 C   -5.183000      0.4842000     -0.5584000    
 C   -4.318200      -1.529400      0.4586000    
 C   -6.466900     -6.1000001E-02 -0.5462000    
 C   -5.602000      -2.074700      0.4708000    
 C    4.355500     -4.1299999E-02 -0.3111000    
 C   -6.676300      -1.340400     -3.1599998E-02
 C    4.535200     -0.6247000      0.9249000    
 C    5.656300      -1.429500       1.094100    
 C    6.538300      -1.615000      3.5300002E-02
 C    6.256400     -0.9787000      -1.162800    
 H    1.418700       2.298600      -1.126200    
 H    1.187800       2.912500      0.4841000    
 H  -2.1299999E-02  0.4965000      -2.045900    
 H  -0.6990000       2.179400       1.865400    
 H   -2.281900     -0.4618000      -2.028300    
 H   -2.959500       1.223300       1.888400    
 H   -5.037200       1.482900     -0.9633000    
 H   -3.491900      -2.115400      0.8542000    
 H    3.124300       1.178100      -1.402600    
 H   -7.303500      0.5106000     -0.9373000    
 H   -5.765300      -3.070900      0.8714000    
 H   -7.675900      -1.765000     -2.2100000E-02
 H    3.901100     -0.5308000       1.789800    
 H    5.843900      -1.912200       2.048600    
 H    7.418500      -2.238100      0.1444000    
 H    6.912900      -1.091200      -2.019300    


%chk=000100472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100472

0 1
O 3.636391 2.659760 0.730282
N 2.486102 0.692042 0.176496
N 3.099063 -1.502942 -0.239086
C -0.055171 1.979779 0.299971
C -2.434950 0.398279 -0.047724
C 1.206204 2.803046 0.484968
C -0.638112 1.805460 -0.982312
C -0.682944 1.347562 1.405835
C -3.672284 -0.414711 -0.225859
C -1.803220 1.030239 -1.153799
C -1.848417 0.573920 1.236415
C 2.556817 2.045549 0.480294
C -4.637496 -0.069204 -1.212171
C -3.921984 -1.555469 0.586564
C -5.810050 -0.835842 -1.380428
C -5.094645 -2.322499 0.420087
C 3.540514 -0.248252 0.083228
C -6.045697 -1.966846 -0.564534
C 4.908804 0.068083 0.298851
C 5.846475 -0.977620 0.170026
C 5.410890 -2.282401 -0.162979
C 4.026724 -2.491970 -0.357195
H 1.295254 3.572030 -0.305261
H 1.184873 3.353897 1.443176
H -0.171712 2.278703 -1.855161
H -0.261695 1.476537 2.410408
H -2.212055 0.891640 -2.160805
H -2.328988 0.128470 2.114513
H -4.484210 0.823416 -1.829351
H -3.178169 -1.862087 1.330819
H 1.561754 0.283119 -0.006358
H -6.544245 -0.545619 -2.140349
H -5.261717 -3.202611 1.051116
H -6.956177 -2.562171 -0.694277
H 5.194262 1.089908 0.553130
H 6.910260 -0.771290 0.329122
H 6.116468 -3.111520 -0.269661
H 3.634782 -3.481785 -0.616692


