%chk=000018425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018425

1 1
 O    2.050800      -1.893300     -0.9412000    
 N  -0.2825000      -3.152200      1.2600000E-02
 N    1.854900     -0.2630000      0.7395000    
 C   -1.036200      -2.287200     -0.9873000    
 C   0.5699000      -2.265900      0.9093000    
 C   -1.941200      -1.292800     -0.2663000    
 C   -1.277500      -3.927600      0.8641000    
 C   0.6138000      -4.128300     -0.7357000    
 C   -2.795400     -0.4001000      -1.176000    
 C    1.577500      -1.472100      0.1090000    
 C   -3.633800      0.6069000     -0.4300000    
 C    2.741500      0.7518000      0.3070000    
 C   -3.109300       1.861300     -0.1566000    
 C   -4.915800      0.2620000     -2.8999999E-02
 C    2.268600       1.766500     -0.5120000    
 C    4.068200      0.7148000      0.7099000    
 C   -3.885100       2.792600      0.5338000    
 C   -5.691600       1.193400      0.6613000    
 C    3.142400       2.767000     -0.9374000    
 C    4.941800       1.715500      0.2845000    
 C   -5.176200       2.458500      0.9426000    
 C   0.8424000       1.821200     -0.9555000    
 C    4.593800     -0.3707000       1.592600    
 C    4.479000       2.741500     -0.5391000    
 H  -0.3251000      -1.770100      -1.638900    
 H   -1.631300      -2.962600      -1.614300    
 H    1.123700      -2.928100       1.587000    
 H  -7.5199999E-02  -1.640700       1.532100    
 H   -1.348400     -0.6129000      0.3535000    
 H   -2.635500      -1.807200      0.4053000    
 H   -2.017400      -4.396700      0.2089000    
 H  -0.7218000      -4.697100       1.410300    
 H   -1.751600      -3.261300       1.588900    
 H    1.426400      -4.457000     -8.1200004E-02
 H   3.0000000E-03  -4.995600      -1.010600    
 H   0.9802000      -3.690900      -1.666700    
 H   -3.447400      -1.028800      -1.796500    
 H   -2.143100      0.1281000      -1.884200    
 H    1.492700     -0.1239000       1.680400    
 H   -2.110100       2.135300     -0.4771000    
 H   -5.325100     -0.7215000     -0.2416000    
 H   -3.484600       3.778400      0.7513000    
 H   -6.696700      0.9333000      0.9803000    
 H    2.798900       3.573300      -1.580200    
 H    5.986400       1.711000      0.5845000    
 H   -5.780200       3.183800       1.479900    
 H   0.6150000      0.9801000      -1.618300    
 H   0.6176000       2.744400      -1.500200    
 H   0.1776000       1.788600     -8.6900003E-02
 H    4.548100      -1.336200       1.078500    
 H    4.015300     -0.4268000       2.520700    
 H    5.638200     -0.1974000       1.874200    
 H    5.159300       3.520400     -0.8708000    


%chk=000018425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018425

1 1
O 1.490735 -1.289183 -1.249621
N -0.293834 -3.204408 -0.035313
N 2.021733 -0.321078 0.817704
C -1.275374 -2.364671 -0.914190
C 0.628345 -2.327424 0.823357
C -2.074203 -1.288525 -0.168084
C -1.088267 -4.103838 0.911181
C 0.538677 -4.096982 -0.967749
C -3.041531 -0.571399 -1.161281
C 1.418569 -1.260276 0.016070
C -3.804596 0.553726 -0.473768
C 2.888002 0.748577 0.351185
C -3.260748 1.862659 -0.418378
C -5.051240 0.304949 0.154578
C 2.384124 1.747702 -0.526986
C 4.222159 0.773303 0.851654
C -3.945095 2.900258 0.253438
C -5.738668 1.340359 0.827453
C 3.274525 2.774732 -0.928405
C 5.069552 1.824597 0.432518
C -5.185444 2.640582 0.881129
C 0.949218 1.753623 -1.015027
C 4.729479 -0.300002 1.799027
C 4.603274 2.815174 -0.458840
H -0.650066 -1.911322 -1.698804
H -1.951618 -3.108905 -1.373121
H 1.332151 -3.016238 1.325898
H 0.000615 -1.850768 1.594453
H -1.404561 -0.519846 0.259851
H -2.677103 -1.710174 0.657791
H -1.726931 -4.769488 0.311195
H -0.388024 -4.705363 1.511555
H -1.712806 -3.487724 1.573600
H 1.186591 -4.745222 -0.356662
H -0.152141 -4.713052 -1.563505
H 1.139499 -3.446025 -1.617545
H -3.748096 -1.314237 -1.579455
H -2.450338 -0.170696 -2.007245
H 1.961640 -0.442489 1.834516
H -2.309223 2.077795 -0.922374
H -5.497661 -0.696538 0.102204
H -3.520334 3.909644 0.277712
H -6.706538 1.137654 1.298488
H 2.911779 3.554568 -1.606819
H 6.100593 1.859744 0.800510
H -5.720956 3.445380 1.395676
H 0.803553 0.997073 -1.808402
H 0.683992 2.740965 -1.427693
H 0.239220 1.524800 -0.197169
H 4.577492 -1.315652 1.387554
H 4.228686 -0.260564 2.788014
H 5.808029 -0.174584 1.985726
H 5.272061 3.620506 -0.779199


