%chk=000056799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056799

0 1
 O   -1.083100      -1.819000       1.282000    
 O    1.651400      -1.826400       1.115800    
 O    1.994900       2.178800     -0.5750000    
 N   -2.894900      0.4098000      0.5651000    
 N   0.1870000     -0.6441000     -0.3093000    
 N    3.007500      -2.049700       1.320600    
 C   -2.217800     -0.4810000     -0.3785000    
 C   -3.142200      -1.585600     -0.9459000    
 C   -1.982300       1.455900       1.023600    
 C   -4.081500      0.9999000     -5.2299999E-02
 C  -0.9832000      -1.075000      0.3103000    
 C   -2.428300      -2.402300      -2.028500    
 C   -3.702500      -2.528600      0.1256000    
 C   -2.649600       2.355400       2.050100    
 C   -3.708500       1.857500      -1.249600    
 C    1.489600     -0.9906000      5.8300000E-02
 C    2.714500     -0.6486000     -0.4507000    
 C    3.008000      0.2343000      -1.591500    
 C    3.622300      -1.336100      0.3732000    
 C    3.181200       1.712600      -1.205100    
 C    5.093000      -1.341800      0.2955000    
 C    2.106900       3.544300     -0.1983000    
 C   0.8177000       3.980300      0.4646000    
 H   -1.856000      9.3699999E-02  -1.239600    
 H   -3.990800      -1.135100      -1.470900    
 H   -1.140600       1.004900       1.562400    
 H   -1.534400       2.045500      0.2180000    
 H   -4.828800      0.2507000     -0.3298000    
 H   -4.632900       1.610900      0.6714000    
 H   -2.048800      -1.750400      -2.822500    
 H   -1.585200      -2.970000      -1.621300    
 H   -3.118100      -3.118200      -2.488700    
 H   -4.154100      -1.980300      0.9576000    
 H   -2.942700      -3.206800      0.5241000    
 H   -4.487200      -3.158600     -0.3092000    
 H   0.1277000     -1.4800000E-02  -1.105500    
 H   -1.888500       2.957600       2.559400    
 H   -3.172600       1.777000       2.819600    
 H   -3.351700       3.061700       1.596800    
 H   -4.630400       2.299400      -1.648800    
 H   -3.275800       1.296300      -2.081600    
 H   -3.063300       2.706500      -1.011100    
 H    2.191900      0.1580000      -2.321700    
 H    3.914200     -0.1046000      -2.107700    
 H    4.028700       1.823400     -0.5181000    
 H    3.377700       2.302500      -2.107800    
 H    5.485800     -0.3208000      0.3366000    
 H    5.543100      -1.904300       1.120400    
 H    5.425400      -1.799400     -0.6419000    
 H    2.293600       4.160600      -1.084800    
 H    2.940300       3.666900      0.5024000    
 H   0.8794000       5.022300      0.7907000    
 H   0.5976000       3.350600       1.332700    
 H  -2.3100000E-02   3.879900     -0.2289000    


%chk=000056799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056799

0 1
O -1.029333 -1.784822 1.316247
O 1.817310 -1.453975 1.878962
O 1.671111 1.621923 -1.432436
N -2.944018 0.485260 0.850485
N 0.452506 -0.336655 0.217668
N 3.239519 -1.841105 2.030960
C -1.963405 -0.006772 -0.150664
C -2.610749 -0.898253 -1.268701
C -2.291525 1.230008 1.961819
C -4.134616 1.161928 0.275359
C -0.834174 -0.802760 0.555341
C -1.539250 -1.365104 -2.285635
C -3.407007 -2.096465 -0.706202
C -3.246058 1.583560 3.116786
C -3.879345 2.485693 -0.500214
C 1.672911 -0.870777 0.621554
C 2.895600 -0.840620 -0.047981
C 3.157156 -0.331340 -1.444360
C 3.824570 -1.449060 0.870695
C 3.075827 1.197773 -1.602363
C 5.293854 -1.705787 0.674591
C 1.519855 3.087419 -1.535223
C 0.045243 3.444195 -1.361196
H -1.471562 0.851234 -0.685167
H -3.311023 -0.239892 -1.823836
H -1.498666 0.577667 2.367790
H -1.783594 2.163823 1.600075
H -4.658449 0.448148 -0.384353
H -4.831691 1.362817 1.107633
H -0.941856 -0.516566 -2.673464
H -0.845565 -2.094875 -1.829129
H -2.023794 -1.860421 -3.146652
H -4.161708 -1.766947 0.028129
H -2.737469 -2.799086 -0.182037
H -3.916114 -2.634622 -1.527908
H 0.563246 0.449636 -0.450253
H -2.662586 1.963593 3.974980
H -3.793637 0.682317 3.444328
H -3.980087 2.363367 2.845146
H -4.839588 2.909348 -0.848331
H -3.242964 2.325496 -1.390338
H -3.389237 3.242975 0.138956
H 2.445614 -0.784629 -2.162872
H 4.168514 -0.645417 -1.764261
H 3.708040 1.707087 -0.844147
H 3.419251 1.497978 -2.616117
H 5.843892 -0.766143 0.483906
H 5.715967 -2.178343 1.576255
H 5.469363 -2.380988 -0.183068
H 1.893241 3.415843 -2.529106
H 2.142438 3.572581 -0.752946
H -0.091451 4.535790 -1.464021
H -0.321811 3.143872 -0.363936
H -0.572194 2.945193 -2.128548


