%chk=000082348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082348

0 1
 O    6.602800      -1.538000     -0.3538000    
 O   -6.597900      -1.542200      0.3553000    
 O    5.525900     -0.6696000       1.467300    
 O   -5.523200     -0.6730000      -1.466700    
 N    4.715300     -0.3612000     -0.7118000    
 N   -4.713600     -0.3601000      0.7120000    
 C  -1.3300000E-02   2.741800       0.000000    
 C    1.244200       1.917300     -0.1885000    
 C   -1.248600       1.927300      0.1863000    
 C    2.002800       1.537900      0.9188000    
 C   -2.006200       1.544500     -0.9206000    
 C    1.642700       1.537200      -1.470200    
 C   -1.646100       1.547600       1.468400    
 C    3.558000      0.3984000     -0.5370000    
 C   -3.558300      0.4025000      0.5365000    
 C    3.159600      0.7783000      0.7446000    
 C   -3.161000      0.7822000     -0.7456000    
 C    2.799600      0.7779000      -1.644500    
 C   -2.800900      0.7852000       1.643500    
 C    5.598300     -0.8343000      0.2557000    
 C   -5.595300     -0.8365000     -0.2549000    
 C    7.598600      -2.092000      0.5141000    
 C   -7.592100      -2.099900     -0.5119000    
 C    8.623700      -2.830700     -0.3197000    
 C   -8.615200      -2.840500      0.3227000    
 H   0.1220000       3.419400      0.8545000    
 H  -0.1357000       3.418100     -0.8574000    
 H    1.702500       1.828400       1.922200    
 H   -1.707300       1.834300      -1.924700    
 H    1.060900       1.826700      -2.341200    
 H   -1.065500       1.839000       2.339700    
 H    3.695500      0.5221000       1.648100    
 H   -3.696000      0.5234000      -1.648800    
 H    3.098300      0.4888000      -2.648900    
 H   -3.098900      0.4964000       2.648300    
 H    4.946300     -0.6027000      -1.672600    
 H   -4.943900     -0.6012000       1.673100    
 H    7.124400      -2.785400       1.217400    
 H    8.086900      -1.284600       1.071000    
 H   -8.082600      -1.294500      -1.069900    
 H   -7.116000      -2.792800      -1.214500    
 H    9.093400      -2.154100      -1.041200    
 H    9.401200      -3.267600      0.3130000    
 H    8.147100      -3.629800     -0.8972000    
 H   -9.391500      -3.280300     -0.3095000    
 H   -9.086900      -2.164200       1.043300    
 H   -8.136500      -3.637500      0.9012000    


%chk=000082348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082348

0 1
O 7.007279 -1.480655 -0.174207
O -7.007304 -1.478174 0.182331
O 6.383101 0.306016 1.232979
O -6.377477 0.290759 -1.244623
N 4.923580 -0.639103 -0.384902
N -4.924881 -0.633092 0.391649
C 0.000378 2.416067 -0.006888
C 1.288761 1.597684 -0.070082
C -1.288659 1.599380 0.062361
C 2.390970 1.902891 0.764533
C -2.388088 1.894779 -0.779426
C 1.434675 0.529912 -0.993507
C -1.437859 0.542715 0.997976
C 3.736158 0.130633 -0.240637
C -3.736862 0.134717 0.242228
C 3.607046 1.189355 0.693991
C -3.604517 1.182281 -0.704425
C 2.637762 -0.193606 -1.082330
C -2.641333 -0.179561 1.091419
C 6.109903 -0.510400 0.317619
C -6.108096 -0.513844 -0.317746
C 8.348665 -1.487628 0.474208
C -8.345597 -1.494254 -0.472255
C 9.161012 -2.581219 -0.212166
C -9.159612 -2.581452 0.222250
H 0.056532 3.088038 0.873149
H -0.055003 3.081303 -0.892089
H 2.303182 2.720612 1.490930
H -2.297784 2.703762 -1.515237
H 0.594296 0.260245 -1.643640
H -0.599713 0.280699 1.654117
H 4.446120 1.439257 1.346481
H -4.441370 1.424435 -1.362664
H 2.728227 -1.014335 -1.805814
H -2.734316 -0.991524 1.824411
H 4.920919 -1.378083 -1.091302
H -4.925072 -1.363088 1.107343
H 8.215284 -1.677410 1.554837
H 8.801808 -0.486857 0.353881
H -8.800756 -0.492905 -0.365007
H -8.206860 -1.695635 -1.550099
H 9.265529 -2.376459 -1.291418
H 10.171873 -2.629039 0.232147
H 8.680436 -3.566823 -0.088348
H -10.168009 -2.636219 -0.226838
H -9.270245 -2.364687 1.298544
H -8.676581 -3.567487 0.112164


