%chk=000017414.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017414

0 1
 O   -7.696200       1.501200      0.5631000    
 O   -7.962500     -0.4630000     -0.3803000    
 N    4.358400      -1.141300      0.1024000    
 N   -1.195000     -0.6147000      0.5810000    
 N   -1.663100     -6.0400002E-02 -0.4411000    
 N   -7.226200      0.4622000      3.9400000E-02
 C    2.959300      -1.008300      0.2229000    
 C    5.395300     -0.2021000     -5.8800001E-02
 C    2.414700      0.1383000      0.8014000    
 C    2.120100      -2.023600     -0.2362000    
 C   0.1922000     -0.7455000      0.4616000    
 C    1.031200      0.2697000      0.9208000    
 C   0.7365000      -1.892200     -0.1169000    
 C    6.667200     -0.4697000      0.4506000    
 C    5.153400      0.9990000     -0.7279000    
 C   -3.057200      7.0699997E-02 -0.3207000    
 C    7.694000      0.4610000      0.2916000    
 C    6.180300       1.929400     -0.8871000    
 C    7.450600       1.660400     -0.3773000    
 C   -5.817600      0.3297000     -8.2000002E-02
 C   -3.595700       1.215800      0.2575000    
 C   -3.888400     -0.9460000     -0.7805000    
 C   -4.979300       1.345600      0.3773000    
 C   -5.272100     -0.8163000     -0.6609000    
 H    4.681000      -2.104200      0.1406000    
 H    3.044400      0.9349000       1.187900    
 H    2.532400      -2.921500     -0.6895000    
 H   0.6165000       1.164400       1.378000    
 H   9.0899996E-02  -2.688900     -0.4772000    
 H    6.869500      -1.400400      0.9747000    
 H    4.180300       1.226000      -1.154700    
 H    8.683200      0.2517000      0.6884000    
 H    5.992500       2.861400      -1.412300    
 H    8.250300       2.384500     -0.5023000    
 H   -2.949500       2.012200      0.6171000    
 H   -3.471200      -1.841600      -1.233300    
 H   -5.368700       2.252300      0.8333000    
 H   -5.894200      -1.627800      -1.029800    


%chk=000017414-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017414

0 1
O -8.042906 1.491295 0.335151
O -8.121944 -0.703618 -0.289228
N 4.476328 -1.164774 -0.092221
N -1.175579 -0.881617 -0.169928
N -1.768675 0.259371 0.125984
N -7.473147 0.369916 0.030212
C 3.085509 -1.016645 -0.112979
C 5.490970 -0.169104 -0.038361
C 2.424424 0.202241 0.250267
C 2.290195 -2.152282 -0.463819
C 0.235941 -0.850164 -0.127199
C 1.029417 0.280595 0.242074
C 0.893943 -2.067721 -0.467923
C 6.728568 -0.506175 0.575152
C 5.336446 1.112482 -0.633895
C -3.194182 0.195697 0.078796
C 7.786593 0.425001 0.602821
C 6.397594 2.040930 -0.587026
C 7.625794 1.708698 0.030598
C -5.997134 0.311638 0.047311
C -3.865791 1.408207 0.402494
C -3.952782 -0.965000 -0.263104
C -5.268604 1.474522 0.389620
C -5.353136 -0.908114 -0.279492
H 4.814644 -2.129774 -0.103734
H 3.013566 1.062784 0.577241
H 2.783459 -3.091652 -0.741940
H 0.516552 1.202264 0.533420
H 0.275787 -2.929140 -0.740491
H 6.851974 -1.491841 1.040718
H 4.413939 1.366014 -1.163807
H 8.733665 0.150764 1.080082
H 6.267858 3.023832 -1.053325
H 8.445397 2.433888 0.058547
H -3.258172 2.281175 0.659737
H -3.417278 -1.886215 -0.508488
H -5.807880 2.392786 0.634830
H -5.964053 -1.777365 -0.537296


