%chk=000117220.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117220

0 1
 O   0.2138000     -0.7795000      8.5400000E-02
 O   -1.438600       2.272700     -0.4134000    
 O    1.427200      -1.527800      -1.715300    
 O   -1.141700       3.923500       1.163400    
 N    2.360500      -1.390000      0.4041000    
 N  -0.7918000       4.332400      -1.072100    
 C   -2.137100     -5.0299998E-02  3.5100002E-02
 C   -2.517700     -0.9912000       1.222500    
 C   -3.018000      -2.408500      0.8546000    
 C  -0.9182000     -0.5941000     -0.7530000    
 C   -1.803400       1.354900      0.6083000    
 C   -3.306900      0.1245000     -0.9495000    
 C   -1.898300      -3.201300      0.1709000    
 C   -4.228700      -2.358700     -8.2999997E-02
 C    1.346400      -1.259300     -0.5212000    
 C   -1.126400       3.540500     -1.6000000E-03
 C    3.683700      -1.872000      8.1200004E-02
 C    4.631800     -0.7459000     -0.3176000    
 C    4.834100      0.2768000      0.8027000    
 C    5.829300       1.353400      0.3985000    
 H   -1.664500      -1.082600       1.907700    
 H   -3.312100     -0.5053000       1.806400    
 H   -3.299900      -2.912400       1.787400    
 H  -0.6370000      0.1636000      -1.498800    
 H   -1.129600      -1.473500      -1.355400    
 H  -0.9780000       1.275300       1.327200    
 H   -2.678600       1.749400       1.141100    
 H   -4.263500      0.2752000     -0.4424000    
 H   -3.166100       1.031000      -1.553200    
 H   -3.362100     -0.6544000      -1.708700    
 H   -2.076100      -4.266200      0.3759000    
 H  -0.9102000      -2.992500      0.5864000    
 H   -1.902100      -3.145500     -0.9184000    
 H   -3.992900      -2.348900      -1.146400    
 H   -4.953100      -1.590200      0.1959000    
 H   -4.771400      -3.306800      4.2599998E-02
 H    3.606800      -2.595400     -0.7379000    
 H    4.062300      -2.399100      0.9633000    
 H    2.165500      -1.129400       1.366000    
 H    4.244200     -0.2359000      -1.208200    
 H    5.599400      -1.182500     -0.5929000    
 H    5.197800     -0.2277000       1.705300    
 H    3.882200      0.7556000       1.058600    
 H    5.480600       1.898200     -0.4847000    
 H    5.959800       2.073600       1.212300    
 H    6.807500      0.9181000      0.1703000    
 H  -0.5319000       5.305300     -0.9490000    
 H  -0.7940000       3.968800      -2.019200    


%chk=000117220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117220

0 1
O 0.222640 -1.061022 0.258063
O -0.790777 1.791815 -0.222765
O 1.759193 -1.994241 -1.275857
O 0.988885 1.765347 1.344585
N 2.433366 -0.964456 0.738951
N 1.161857 2.821792 -0.738432
C -2.078287 -0.360239 -0.113622
C -2.707921 -1.268793 1.001144
C -3.651633 -2.471802 0.671292
C -0.840079 -1.021420 -0.769300
C -1.623830 0.920272 0.648024
C -3.053731 0.044299 -1.248097
C -3.072709 -3.507250 -0.323693
C -5.091229 -2.063334 0.264320
C 1.521069 -1.393860 -0.194146
C 0.503807 2.095542 0.229300
C 3.878296 -1.160368 0.543613
C 4.570819 0.032909 -0.160358
C 4.588997 1.327395 0.685022
C 5.195606 2.525684 -0.078132
H -1.854937 -1.660903 1.591423
H -3.277987 -0.607995 1.689907
H -3.750125 -2.998278 1.646250
H -0.485210 -0.416147 -1.624058
H -1.050308 -2.041744 -1.125149
H -1.034297 0.665321 1.544160
H -2.504000 1.526907 0.926835
H -3.999348 0.437004 -0.834468
H -2.598171 0.834926 -1.871977
H -3.298622 -0.809832 -1.904068
H -3.720743 -4.403241 -0.358700
H -2.059423 -3.835520 -0.027290
H -3.017541 -3.104109 -1.351718
H -5.133730 -1.640208 -0.753727
H -5.508365 -1.313751 0.963146
H -5.757115 -2.947049 0.282524
H 4.003465 -2.073001 -0.064275
H 4.344141 -1.339348 1.532067
H 2.086694 -0.306952 1.444470
H 4.056562 0.215320 -1.124795
H 5.612036 -0.261863 -0.405441
H 5.172725 1.149161 1.611486
H 3.559008 1.575793 1.010325
H 4.626225 2.736957 -1.005654
H 5.199342 3.442439 0.540273
H 6.239576 2.319793 -0.380838
H 2.115671 3.124637 -0.559595
H 0.703136 3.039315 -1.619821


