%chk=000158346.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158346

0 1
 O   0.1960000      -3.100800       1.002300    
 N   -1.456100       1.881100      0.1027000    
 N    4.245800      -1.037500     -0.1680000    
 C  -0.5419000     -0.1430000     -7.9099998E-02
 C  -0.2548000       1.214500      4.1600000E-02
 C   0.5314000      -1.054400     -0.1623000    
 C   -1.966500     -0.2802000     -8.8500001E-02
 C    1.053100       1.713700      8.4200002E-02
 C    1.856500     -0.5788000     -0.1224000    
 C    2.117900      0.8001000      6.0000003E-04
 C   -2.508500       1.000000      2.5900001E-02
 C   0.2732000      -2.526600     -0.2935000    
 C   -2.846300      -1.378900     -0.1843000    
 C    1.292200       3.185600      0.2144000    
 C   -3.887200       1.239400      4.9300000E-02
 C    3.447700       1.234400      3.7000000E-02
 C    2.954700      -1.437400     -0.2013000    
 C   -4.227600      -1.155600     -0.1619000    
 C   -4.738200      0.1352000     -4.6999998E-02
 C    4.458300      0.2893000     -4.9600001E-02
 H   -1.563500       2.881400      0.1918000    
 H  -0.6411000      -2.739800     -0.8453000    
 H    1.034000      -3.055700     -0.8726000    
 H   -2.506700      -2.405000     -0.2492000    
 H    1.854300       3.401800       1.129300    
 H    1.850100       3.559900     -0.6508000    
 H   0.3678000       3.767100      0.2684000    
 H   -4.285400       2.244500      0.1393000    
 H    3.725500       2.278900      0.1301000    
 H    2.870800      -2.515300     -0.2737000    
 H   -4.908700      -1.999900     -0.2292000    
 H   -5.814300      0.2872000     -3.0200001E-02
 H    5.500900      0.5892000     -2.4800001E-02
 H  -0.4014000      -2.557500       1.543800    


%chk=000158346-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158346

0 1
O -0.115777 -3.248953 0.913105
N -1.462451 1.916115 0.093832
N 4.331035 -1.038171 -0.118279
C -0.507757 -0.180822 -0.092598
C -0.232288 1.241274 0.033139
C 0.551517 -1.102531 -0.193045
C -1.970145 -0.329288 -0.083434
C 1.059283 1.780477 0.069228
C 1.896979 -0.590968 -0.127767
C 2.144042 0.841720 -0.003535
C -2.520359 0.994899 0.029017
C 0.236751 -2.577252 -0.361489
C -2.860534 -1.432252 -0.133955
C 1.311262 3.271944 0.184063
C -3.907763 1.237865 0.069374
C 3.516378 1.265428 0.039742
C 3.050749 -1.453579 -0.166052
C -4.252368 -1.198716 -0.094399
C -4.769428 0.121014 0.002770
C 4.545092 0.328142 -0.024209
H -1.574289 2.922689 0.180928
H -0.591086 -2.692802 -1.090022
H 1.091817 -3.153984 -0.739843
H -2.494000 -2.461218 -0.199548
H 1.875743 3.518177 1.103107
H 1.901620 3.649426 -0.671764
H 0.375869 3.856387 0.212687
H -4.309468 2.253418 0.153065
H 3.762912 2.327633 0.126819
H 2.918607 -2.539224 -0.218438
H -4.943683 -2.046857 -0.134300
H -5.853651 0.275098 0.033141
H 5.595757 0.636237 0.005400
H -0.718368 -2.654426 1.430262


