%chk=000083357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083357

0 1
 O   0.8807000      -1.631200      0.4198000    
 N  -0.8796000      0.5403000      2.2100000E-02
 N   -3.725600      0.3749000      0.1693000    
 C   -1.524300     -3.7000000E-03   1.225000    
 C   -1.710400       1.428300     -0.7984000    
 C   -2.891200     -0.5933000      0.8793000    
 C   -3.071500      0.7884000      -1.071000    
 C   0.5096000      0.7095000      3.9000001E-02
 C    1.385300     -0.3782000      0.2379000    
 C    1.076100       1.987300     -0.1449000    
 C    2.768000     -0.1951000      0.2526000    
 C    2.458800       2.170300     -0.1304000    
 C    3.304700       1.079200      6.8499997E-02
 C    1.264800      -2.627300     -0.5253000    
 C   0.1544000      -3.649400     -0.6436000    
 H   -1.643800      0.8058000       1.957400    
 H  -0.9298000     -0.7805000       1.715000    
 H   -1.228100       1.628300      -1.763400    
 H   -1.851500       2.387300     -0.2835000    
 H   -2.769400      -1.499400      0.2725000    
 H   -3.398500     -0.8914000       1.803200    
 H   -3.711200       1.510200      -1.590300    
 H   -2.956000     -7.5700000E-02  -1.737500    
 H   -4.624200     -5.3500000E-02 -5.1100001E-02
 H   0.4504000       2.864600     -0.2889000    
 H    3.439800      -1.033400      0.4151000    
 H    2.877200       3.162800     -0.2702000    
 H    4.381300       1.222300      8.2599998E-02
 H    1.451800      -2.183200      -1.511000    
 H    2.182200      -3.114000     -0.1769000    
 H   0.4212000      -4.437100      -1.353700    
 H  -5.4699998E-02  -4.106100      0.3295000    
 H  -0.7734000      -3.172300     -0.9764000    


%chk=000083357-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083357

0 1
O 0.651814 -1.657498 -0.113455
N -0.996797 0.610206 -0.094569
N -3.848331 0.530594 0.191711
C -1.636690 -0.227953 0.956599
C -1.822966 1.780837 -0.461135
C -3.041418 -0.668462 0.510988
C -3.230420 1.322122 -0.892719
C 0.415345 0.754434 -0.101322
C 1.284692 -0.394951 -0.116560
C 1.037225 2.033427 -0.164132
C 2.687069 -0.240111 -0.164609
C 2.440423 2.183800 -0.236104
C 3.271904 1.047485 -0.227806
C 1.500860 -2.856198 -0.232139
C 0.563333 -4.061445 -0.257793
H -1.729429 0.357378 1.900368
H -1.008951 -1.111210 1.138734
H -1.345299 2.308096 -1.306080
H -1.925134 2.495436 0.389893
H -2.928975 -1.358734 -0.361074
H -3.527485 -1.221703 1.335638
H -3.853520 2.213165 -1.094296
H -3.125624 0.743467 -1.844185
H -4.835530 0.310680 0.008855
H 0.411206 2.930126 -0.135233
H 3.336651 -1.120379 -0.176214
H 2.874625 3.188579 -0.282155
H 4.361389 1.148644 -0.272657
H 2.100150 -2.792168 -1.163852
H 2.197143 -2.908663 0.630796
H 1.148351 -4.994625 -0.351175
H -0.031348 -4.114290 0.670546
H -0.131164 -3.995386 -1.112563


