%chk=000107927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107927

0 1
 O    2.918400      0.3959000      0.3750000    
 O    4.444400       2.684200      0.7830000    
 O   0.5860000      0.2038000       1.658700    
 O    2.178300      -4.964500     -0.7148000    
 N    1.057800       3.223600     -0.6136000    
 C    3.440600       2.658500     -0.2360000    
 C    2.152600       3.244600      0.3469000    
 C    3.283100       1.221000     -0.7270000    
 C  -0.1690000       3.733700     -1.6500000E-02
 C   -1.070700      -1.157100      0.5576000    
 C   -2.038500      2.8300000E-02  0.5787000    
 C    1.486700      -1.535600      0.3576000    
 C    2.719900     -0.9326000      0.1096000    
 C   -1.308500       3.694700      -1.031700    
 C   0.3770000     -0.7683000      0.9062000    
 C   -3.444900     -0.3948000      0.2413000    
 C    1.304800      -2.890500      8.0899999E-02
 C    3.771100      -1.684600     -0.4149000    
 C   -2.597400       4.243000     -0.4389000    
 C    2.355900      -3.642700     -0.4435000    
 C    3.589200      -3.039600     -0.6915000    
 C   -3.875600     -0.3894000      -1.085500    
 C   -4.316300     -0.7913000       1.255700    
 C   -5.177600     -0.7806000      -1.397800    
 C   -5.618300      -1.182600      0.9435000    
 C   -6.048900      -1.177100     -0.3833000    
 H    3.789600       3.290400      -1.061300    
 H    2.354000       4.273100      0.6741000    
 H    1.881600       2.690400       1.254400    
 H    4.245800      0.8898000      -1.132800    
 H    2.528600       1.148900      -1.518800    
 H    1.305400       3.778900      -1.431900    
 H  -0.4449000       3.125200      0.8533000    
 H  -2.2600001E-02   4.764900      0.3276000    
 H   -1.389200      -1.920400       1.277800    
 H   -1.086600      -1.604700     -0.4434000    
 H   -1.699900      0.7922000     -0.1288000    
 H   -2.027800      0.5150000       1.562400    
 H   -1.475700       2.671400      -1.384800    
 H   -1.044500       4.294600      -1.911600    
 H   0.3564000      -3.381500      0.2828000    
 H    4.745100      -1.239700     -0.5973000    
 H    5.266300       2.340500      0.3931000    
 H   -2.914400       3.649000      0.4244000    
 H   -2.471500       5.281200     -0.1156000    
 H   -3.399100       4.213600      -1.183500    
 H    4.412900      -3.621300      -1.096200    
 H   -3.205400     -8.3400004E-02  -1.884500    
 H   -3.991700     -0.8011000       2.292800    
 H   -5.512900     -0.7767000      -2.430800    
 H   -6.296700      -1.491800       1.733300    
 H   -7.062500      -1.481900     -0.6264000    
 H    1.267100      -5.215000     -0.4849000    


%chk=000107927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107927

0 1
O 2.121662 0.622063 0.490184
O 3.023466 2.342631 2.748009
O -0.607901 0.979011 0.162852
O 1.420164 -4.085996 -2.515772
N 2.222911 3.900459 -0.538791
C 3.240922 2.609516 1.317941
C 2.031993 3.446671 0.857361
C 3.405190 1.338342 0.473823
C 0.974141 4.107183 -1.312295
C -1.809523 -1.120373 0.423965
C -2.891619 -0.302374 1.171381
C 0.634222 -1.011949 -0.465617
C 1.962763 -0.492481 -0.323089
C 1.283564 4.437365 -2.785866
C -0.574094 -0.280845 0.053764
C -4.111823 -1.154260 1.487275
C 0.459055 -2.230589 -1.177995
C 3.050208 -1.158269 -0.949669
C 0.004180 4.699181 -3.609383
C 1.548478 -2.889085 -1.783390
C 2.846426 -2.342479 -1.679911
C -5.203163 -1.228339 0.582866
C -4.171579 -1.924653 2.677885
C -6.320080 -2.050405 0.856295
C -5.285903 -2.747698 2.957129
C -6.364846 -2.815408 2.045032
H 4.181259 3.194243 1.180024
H 1.889484 4.272702 1.588691
H 1.139594 2.800159 0.899333
H 4.212806 0.690850 0.881479
H 3.644931 1.640673 -0.564605
H 2.834839 4.726990 -0.596224
H 0.387453 3.171291 -1.250695
H 0.330873 4.918457 -0.886525
H -1.494329 -1.993802 1.027584
H -2.253484 -1.539172 -0.503637
H -3.165977 0.568619 0.550282
H -2.447985 0.106244 2.097845
H 1.858635 3.598333 -3.222135
H 1.941583 5.331057 -2.833369
H -0.549755 -2.646337 -1.285121
H 4.064005 -0.758115 -0.864831
H 3.696364 1.690544 3.069416
H -0.664339 3.818034 -3.591299
H -0.562660 5.558010 -3.202720
H 0.243861 4.921208 -4.665275
H 3.679408 -2.856886 -2.168002
H -5.181076 -0.628681 -0.336147
H -3.342388 -1.870401 3.394849
H -7.156208 -2.088852 0.148449
H -5.315977 -3.329838 3.885426
H -7.231854 -3.449832 2.261137
H 0.479624 -4.391119 -2.534814


