%chk=000063757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063757

0 1
 O  -0.6834000       2.046600     -0.6691000    
 O    5.247900      0.6260000     -1.1800000E-02
 N  -0.2761000     -0.1582000      5.3199999E-02
 N   -2.128700      -1.552400      0.5869000    
 C    1.146900      4.2599998E-02  3.7000000E-02
 C  -0.8511000      -1.365300      0.4581000    
 C   -1.082400      0.9387000     -0.3179000    
 C   -2.540200      0.7237000     -0.2026000    
 C   2.2000000E-02  -2.575700      0.7193000    
 C    1.788700      0.5003000       1.180900    
 C    1.863800     -0.2226000      -1.123100    
 C   -3.000000     -0.5058000      0.2689000    
 C    3.169600      0.6960000       1.164500    
 C    3.244700     -2.6900001E-02  -1.139600    
 C    3.897600      0.4325000      4.1999999E-03
 C   -3.440100       1.743100     -0.5357000    
 C   0.2315000      -3.342600     -0.5626000    
 C   -4.378500     -0.7070000      0.4044000    
 C    3.852000       1.185400       2.399200    
 C    4.006500     -0.3134000      -2.391500    
 C   -4.810700       1.529500     -0.3967000    
 C   -5.280300      0.3057000      7.4100003E-02
 H   0.9841000      -2.290200       1.151100    
 H  -0.4771000      -3.219600       1.453200    
 H    1.214100      0.7029000       2.081500    
 H    1.347600     -0.5668000      -2.015800    
 H   -3.094500       2.706200     -0.9008000    
 H   0.8500000      -4.226800     -0.3781000    
 H   0.7223000      -2.746100      -1.333900    
 H  -0.7243000      -3.683400     -0.9759000    
 H   -4.759600      -1.659300      0.7660000    
 H    4.343400       2.146400       2.214300    
 H    3.141300       1.341100       3.218500    
 H    4.589100      0.4548000       2.749000    
 H    4.497200      0.5957000      -2.754300    
 H    4.764300      -1.082400      -2.208200    
 H    3.355200     -0.6789000      -3.192700    
 H   -5.512000       2.317900     -0.6540000    
 H   -6.347900      0.1384000      0.1826000    
 H    5.569700      0.9466000      0.8447000    


%chk=000063757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063757

0 1
O -0.575342 2.079309 -0.573024
O 5.284114 0.610181 -0.130220
N -0.320533 -0.162760 0.105127
N -2.210230 -1.592931 0.551759
C 1.126501 0.020453 0.066512
C -0.899813 -1.396598 0.485185
C -1.121571 0.987422 -0.246363
C -2.575068 0.751521 -0.179016
C 0.006853 -2.572753 0.794393
C 1.801937 0.465966 1.220329
C 1.832394 -0.202937 -1.134087
C -3.069665 -0.531078 0.220266
C 3.198921 0.674244 1.198256
C 3.228803 -0.005773 -1.199707
C 3.891117 0.427604 -0.019985
C -3.478140 1.797346 -0.505079
C 0.257454 -3.456379 -0.457417
C -4.475847 -0.740829 0.287356
C 3.947984 1.161161 2.426171
C 4.014408 -0.227096 -2.473933
C -4.863047 1.575521 -0.436035
C -5.359596 0.300988 -0.037730
H 0.969708 -2.232689 1.210473
H -0.512213 -3.174635 1.559134
H 1.234779 0.666077 2.135947
H 1.287147 -0.509363 -2.033389
H -3.062023 2.764381 -0.806156
H 0.847468 -4.348176 -0.180268
H 0.817317 -2.905400 -1.233149
H -0.702353 -3.792891 -0.886350
H -4.834168 -1.727708 0.595488
H 4.439228 2.140285 2.252913
H 3.257766 1.298957 3.274186
H 4.725928 0.443489 2.757788
H 4.521078 0.702690 -2.791259
H 4.811493 -0.978611 -2.326313
H 3.357007 -0.564621 -3.292535
H -5.562510 2.379792 -0.687434
H -6.441082 0.132625 0.014871
H 5.666392 0.939915 0.720595


