%chk=000131175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131175

0 1
 O   -4.732200      -2.180800      6.9700003E-02
 N   -2.571400      -2.421700      0.7680000    
 N   -1.267800      -2.068400      0.7991000    
 N    4.622600      0.2795000      5.0999999E-02
 N    6.652500      0.8730000     -0.6534000    
 C   -3.113800     -0.7334000     -0.9354000    
 C   -1.645400     -0.8590000      -1.313600    
 C  -0.8053000      -1.302700     -0.1390000    
 C   -3.468800      0.6365000     -0.3828000    
 C   -3.548000      -1.847700     -9.3999999E-03
 C   0.6234000     -0.8840000     -8.8799998E-02
 C   -3.743300       1.688300      -1.255300    
 C   -3.519600      0.8387000      0.9954000    
 C    1.326600     -0.6800000      -1.272900    
 C    1.248600     -0.7014000       1.141700    
 C    3.295500     -0.1063000      4.4999998E-03
 C    2.665100     -0.2905000      -1.226100    
 C    2.587200     -0.3119000       1.188500    
 C   -4.069200       2.946100     -0.7481000    
 C   -3.845800       2.096500       1.502500    
 C   -4.120700       3.150200      0.6307000    
 C    5.372000      0.4982000       1.178800    
 C    5.441800      0.5191000      -1.023700    
 C    6.615800      0.8615000      0.7185000    
 H   -3.702200     -0.8723000      -1.854300    
 H   -1.266500      7.6399997E-02  -1.738800    
 H   -1.539100      -1.640900      -2.077300    
 H   -2.823700      -3.133200       1.446500    
 H   -3.704800       1.541800      -2.331300    
 H   -3.299700      5.0099999E-02   1.707400    
 H   0.8665000     -0.8330000      -2.244800    
 H   0.7125000     -0.8493000       2.075400    
 H    3.164300     -0.1502000      -2.178900    
 H    3.022400     -0.1829000       2.173700    
 H   -4.282600       3.766700      -1.426700    
 H   -3.882700       2.256900       2.576100    
 H   -4.373600       4.129800       1.025600    
 H    5.010400      0.3923000       2.191200    
 H    5.140900      0.4322000      -2.058200    
 H    7.486500       1.115700       1.305200    


%chk=000131175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131175

0 1
O -4.834590 -2.229209 -0.239528
N -2.699490 -2.274489 0.663114
N -1.358251 -1.895657 0.792719
N 4.721342 0.261284 0.358778
N 6.674812 1.388670 0.056603
C -3.120198 -0.707991 -1.196893
C -1.616319 -0.933123 -1.485016
C -0.820458 -1.224516 -0.219096
C -3.479886 0.668730 -0.603731
C -3.645142 -1.804072 -0.253773
C 0.601989 -0.835578 -0.080104
C -4.852587 1.012741 -0.479726
C -2.502330 1.606280 -0.186912
C 1.344127 -0.314608 -1.175952
C 1.274143 -0.987501 1.168208
C 3.348929 -0.111413 0.211626
C 2.701810 0.033142 -1.038686
C 2.621279 -0.626337 1.316865
C -5.237441 2.265182 0.042296
C -2.888503 2.862819 0.335952
C -4.255144 3.198332 0.451225
C 5.666038 -0.318321 1.229070
C 5.390739 1.290439 -0.324777
C 6.854354 0.378786 1.021920
H -3.686035 -0.828423 -2.138130
H -1.210829 -0.064712 -2.029395
H -1.510668 -1.808286 -2.160364
H -3.024017 -2.907434 1.397627
H -5.615541 0.285751 -0.781615
H -1.435007 1.372781 -0.261097
H 0.878486 -0.203725 -2.160182
H 0.708588 -1.379962 2.017749
H 3.263217 0.390649 -1.907720
H 3.104421 -0.713868 2.295390
H -6.301048 2.513417 0.129396
H -2.119580 3.576071 0.653413
H -4.552431 4.172551 0.854841
H 5.427869 -1.173215 1.855226
H 4.891437 1.946160 -1.033220
H 7.820315 0.218553 1.494599


