%chk=000121090.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121090

0 1
 O   -5.608100      -1.897600     -0.9087000    
 O   -7.168200     -0.1085000      0.5376000    
 N   0.5738000      0.7939000      0.4194000    
 N    3.343500      0.2333000      2.7000001E-03
 C    1.027100      0.1773000     -0.8332000    
 C    1.414600      0.3379000       1.533300    
 C    2.479400      0.5531000      -1.137600    
 C    2.879200      0.7202000       1.307800    
 C  -0.8302000      0.4717000      0.6714000    
 C   -1.726600       1.024400     -0.4375000    
 C    4.721300      8.3499998E-02 -0.1910000    
 C   -3.180200      0.7182000     -0.1783000    
 C    5.479600     -0.7814000      0.6231000    
 C    5.392300      0.7944000      -1.206100    
 C    6.853100     -0.9295000      0.4300000    
 C   -3.726100     -0.4585000     -0.6680000    
 C   -3.947200       1.619000      0.5450000    
 C    6.765900      0.6464000      -1.399200    
 C    7.496100     -0.2155000     -0.5812000    
 C   -5.071000     -0.7412000     -0.4290000    
 C   -5.291900       1.336500      0.7841000    
 C    7.634100      -1.852000       1.303200    
 C   -5.853800      0.1563000      0.2971000    
 C   -5.546100      -3.042100     -5.9900001E-02
 C   -8.110500      0.3603000     -0.4249000    
 H   0.4571000      0.5246000      -1.698400    
 H   0.9301000     -0.9158000     -0.7878000    
 H    1.334800     -0.7503000       1.659900    
 H    1.081200      0.8011000       2.469900    
 H    2.795400     -2.4000001E-03  -2.029500    
 H    2.544200       1.625100      -1.364800    
 H    2.995500       1.811100       1.347600    
 H    3.471100      0.3022000       2.130200    
 H  -0.9743000     -0.6130000      0.7704000    
 H   -1.139000      0.9184000       1.625700    
 H   -1.493500      0.6050000      -1.421200    
 H   -1.591000       2.110000     -0.5330000    
 H    4.985800      -1.354900       1.405600    
 H    4.859100       1.484800      -1.854800    
 H   -3.118300      -1.161000      -1.232400    
 H   -3.518000       2.539700      0.9299000    
 H    7.267300       1.204100      -2.184800    
 H    8.565400     -0.3231000     -0.7430000    
 H   -5.895600       2.039600       1.351600    
 H    7.604700      -2.868200      0.8976000    
 H    8.680300      -1.536500       1.379700    
 H    7.229300      -1.866800       2.320800    
 H   -6.086400      -2.859000      0.8742000    
 H   -4.505100      -3.305300      0.1531000    
 H   -6.019400      -3.879800     -0.5791000    
 H   -9.110900      6.5800004E-02 -9.6500002E-02
 H   -7.917300     -8.8900000E-02  -1.404100    
 H   -8.073100       1.451900     -0.4979000    


%chk=000121090-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121090

0 1
O -5.875478 -1.598594 -1.189685
O -7.280458 -0.035471 0.854489
N 0.630523 0.542691 0.277488
N 3.483377 0.126148 -0.081684
C 1.183548 0.094828 -1.023048
C 1.470067 0.006277 1.377191
C 2.637677 0.567710 -1.206574
C 2.916962 0.502956 1.234260
C -0.802406 0.205081 0.452571
C -1.741881 1.070678 -0.429817
C 4.889338 0.038177 -0.253206
C -3.205377 0.790023 -0.122884
C 5.718749 -0.493466 0.783573
C 5.523106 0.433009 -1.469123
C 7.114214 -0.634819 0.628600
C -3.899215 -0.252482 -0.785980
C -3.891620 1.523399 0.879616
C 6.917506 0.282181 -1.628946
C 7.719643 -0.243393 -0.596163
C -5.240659 -0.555152 -0.472004
C -5.241090 1.244016 1.185292
C 7.959918 -1.219690 1.749134
C -5.931282 0.218272 0.505164
C -6.323698 -2.736531 -0.353366
C -8.251254 0.193188 -0.241497
H 0.576092 0.514356 -1.844404
H 1.153733 -1.022611 -1.107502
H 1.468739 -1.113871 1.387958
H 1.060836 0.361151 2.341383
H 3.022153 0.127669 -2.142837
H 2.649305 1.677735 -1.312544
H 2.924567 1.611239 1.350764
H 3.526072 0.074612 2.044547
H -1.005419 -0.878242 0.250043
H -1.063207 0.384900 1.513103
H -1.539042 0.872151 -1.498892
H -1.496262 2.131758 -0.240439
H 5.267018 -0.833104 1.722147
H 4.945154 0.881141 -2.281882
H -3.407184 -0.855307 -1.557974
H -3.371991 2.329979 1.410490
H 7.380482 0.596608 -2.572011
H 8.802452 -0.348839 -0.731058
H -5.786881 1.819533 1.940131
H 8.419946 -2.178755 1.443679
H 8.785718 -0.537319 2.025043
H 7.360811 -1.408767 2.656846
H -7.015628 -2.398097 0.438751
H -5.449472 -3.239111 0.102708
H -6.832935 -3.425346 -1.044590
H -9.231943 -0.087485 0.172220
H -8.008335 -0.428602 -1.122062
H -8.255485 1.262088 -0.528017


