%chk=000117447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117447

1 1
 O    2.134400      -1.754600     -0.1532000    
 N   -1.726500      6.2000002E-03  0.4911000    
 N    3.199100      0.3054000     -0.1377000    
 C   -1.974300       1.032700     -0.6333000    
 C   -2.951400     -0.9311000      0.4806000    
 C   -3.435300      0.8577000     -0.9981000    
 C   -3.654100     -0.6295000     -0.8283000    
 C  -0.4516000     -0.7776000      0.2196000    
 C   -1.607600      0.7055000       1.836500    
 C   0.7358000      0.1732000      0.1452000    
 C    2.075700     -0.5255000     -6.2500000E-02
 C    4.549100     -0.2185000     -0.3319000    
 C    3.106800       1.756100     -2.8000001E-02
 H   -1.357300      0.7635000      -1.497400    
 H   -1.726200       2.040700     -0.2883000    
 H   -3.588500     -0.6768000       1.334800    
 H   -2.622400      -1.971200      0.5676000    
 H   -3.651400       1.199600      -2.014200    
 H   -4.071800       1.421400     -0.3057000    
 H   -4.714200     -0.8962000     -0.7980000    
 H   -3.186200      -1.183800      -1.650500    
 H  -0.3309000      -1.509400       1.027500    
 H  -0.5856000      -1.321900     -0.7231000    
 H   -2.582800       1.138700       2.082400    
 H   -1.324700     -3.3300001E-02   2.591800    
 H  -0.8819000       1.519400       1.778300    
 H   0.8447000      0.7190000       1.085400    
 H   0.6172000      0.8955000     -0.6668000    
 H    4.538400      -1.308300     -0.4127000    
 H    5.166500      7.0799999E-02  0.5234000    
 H    4.963200      0.2048000      -1.251500    
 H    2.622800       2.025200      0.9145000    
 H    2.517500       2.142400     -0.8643000    
 H    4.102000       2.210100     -5.4299999E-02


%chk=000117447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117447

1 1
O 1.091982 -0.790850 -1.127753
N -1.753594 0.229913 0.630334
N 2.938144 0.392738 -0.343543
C -1.618967 0.701647 -0.857463
C -2.918225 -0.824014 0.617867
C -2.922849 0.260350 -1.539373
C -3.207945 -1.103616 -0.866294
C -0.465521 -0.459307 1.145638
C -2.133741 1.394243 1.532842
C 0.839734 0.353559 1.025846
C 1.645053 -0.056350 -0.236354
C 3.758116 -0.029035 -1.502667
C 3.631217 1.216761 0.667345
H -0.749831 0.165547 -1.275948
H -1.436055 1.787515 -0.863084
H -3.783159 -0.355081 1.114548
H -2.600353 -1.702321 1.200072
H -2.781927 0.173040 -2.628432
H -3.749210 0.973205 -1.361995
H -4.245101 -1.446605 -1.009852
H -2.533070 -1.881043 -1.265507
H -0.675334 -0.716024 2.198062
H -0.359626 -1.380708 0.547999
H -3.019895 1.895246 1.114153
H -2.363398 1.014616 2.540987
H -1.302224 2.112067 1.588515
H 1.441394 0.163261 1.932915
H 0.659548 1.445790 1.013793
H 3.165364 -0.710934 -2.128429
H 4.667666 -0.549182 -1.151930
H 4.058059 0.851134 -2.099610
H 4.249487 0.592499 1.340652
H 2.924508 1.803296 1.273251
H 4.298253 1.928843 0.152317


