%chk=000132412.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132412

0 1
 O   0.9762000      0.4019000     -0.1667000    
 N  -0.5666000      -2.536600      0.5545000    
 N    3.651300       1.292400     -5.9000002E-03
 N  -0.8679000      -3.631900     -0.1638000    
 C  -0.2374000     -6.6799998E-02  0.4047000    
 C  -0.5511000      -1.421600     -0.1939000    
 C   -1.357400      0.9365000      0.2154000    
 C    2.031000     -0.5356000      8.0000004E-03
 C    3.302600      1.0900000E-02 -0.6184000    
 C  -0.8495000      -1.754900      -1.465500    
 C   -2.366900       1.004500       1.158400    
 C   -1.343100       1.760400     -0.8953000    
 C   -1.039600      -3.148100      -1.396900    
 C  -0.3082000      -2.669200       1.969400    
 C    4.856000       1.843700     -0.6251000    
 C    3.843500       1.134700       1.435100    
 C   -3.397700       1.928000      0.9844000    
 C   -2.373900       2.684000      -1.069100    
 C   -3.401200       2.767700     -0.1292000    
 H  -5.7999998E-02 -0.1370000       1.484900    
 H    2.161200     -0.7945000       1.063900    
 H    1.830300      -1.467100     -0.5314000    
 H    4.113300     -0.7218000     -0.5186000    
 H    3.122000      0.1689000      -1.689200    
 H  -0.9230000      -1.112500      -2.330500    
 H   -2.373800      0.3537000       2.027800    
 H  -0.5589000       1.706100      -1.644300    
 H   -1.295100      -3.831000      -2.194400    
 H  -0.4459000      -3.712400       2.267300    
 H   0.7216000      -2.366800       2.169200    
 H   -1.016600      -2.040800       2.514600    
 H    5.087700       2.829900     -0.2075000    
 H    4.704800       1.988700      -1.700700    
 H    5.728300       1.195300     -0.4835000    
 H    4.252000       2.056600       1.867300    
 H    4.535500      0.3207000       1.680100    
 H    2.897200      0.9759000       1.961400    
 H   -4.197900       1.992800       1.715900    
 H   -2.378100       3.336400      -1.937400    
 H   -4.204200       3.486300     -0.2650000    


%chk=000132412-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132412

0 1
O 1.004613 0.095737 -0.456578
N -1.096670 -2.624282 0.910723
N 3.779255 1.370369 -0.065367
N -1.469342 -3.832563 0.318433
C -0.159284 -0.310556 0.349127
C -0.623797 -1.702637 -0.017408
C -1.218353 0.785042 0.175956
C 2.240200 -0.622255 -0.110277
C 3.401482 0.125938 -0.773906
C -0.689567 -2.337091 -1.271277
C -2.594648 0.482408 0.048307
C -0.803253 2.141179 0.199229
C -1.209882 -3.639096 -1.012639
C -1.247407 -2.470364 2.359410
C 4.359577 2.391330 -0.959301
C 4.622511 1.123660 1.119328
C -3.548786 1.522119 -0.047304
C -1.755936 3.177519 0.097047
C -3.133168 2.872171 -0.021724
H 0.153329 -0.316028 1.422229
H 2.362330 -0.653317 0.995201
H 2.187876 -1.667026 -0.483650
H 4.270728 -0.575063 -0.873172
H 3.078123 0.387148 -1.798070
H -0.399076 -1.901751 -2.224180
H -2.922586 -0.562464 0.006197
H 0.266547 2.364147 0.270081
H -1.413720 -4.447615 -1.712411
H -1.746265 -3.377688 2.729200
H -0.266414 -2.371814 2.858861
H -1.865871 -1.588848 2.603187
H 4.534384 3.323048 -0.391075
H 3.649641 2.617400 -1.773920
H 5.334584 2.085752 -1.419402
H 4.782259 2.069719 1.666817
H 5.627452 0.695924 0.864618
H 4.121858 0.419999 1.808094
H -4.611971 1.276617 -0.149053
H -1.426154 4.222761 0.107844
H -3.872101 3.677873 -0.099174


