%chk=000044587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044587

0 1
 O    1.703300       2.807600       1.302100    
 O    5.853300      0.9491000     -0.8839000    
 O    3.109100      -2.812400      0.2387000    
 O    5.494700      -1.793500     -0.7320000    
 N   -3.335000       1.099200     -0.4242000    
 N   0.1219000       1.178000      0.8323000    
 C   -1.038500       1.960100       1.195800    
 C   -2.152700       1.069500       1.750600    
 C   -1.556200       2.767200      2.9000000E-03
 C   -2.828100      0.2399000      0.6541000    
 C   -2.251900       1.881100      -1.035200    
 C   -4.022600      0.2983000      -1.436800    
 C   -5.193900     -0.4510000     -0.8591000    
 C    1.412000       1.677800      0.9185000    
 C    2.494100      0.7579000      0.4826000    
 C   -5.003900      -1.727000     -0.3474000    
 C   -6.447400      0.1448000     -0.8469000    
 C   -6.089100      -2.421300      0.1874000    
 C   -7.532600     -0.5495000     -0.3121000    
 C    2.286800     -0.6030000      0.5689000    
 C    3.671100       1.294500      3.5999999E-03
 C   -7.353500      -1.832600      0.2051000    
 C    4.686600      0.4312000     -0.4078000    
 C    3.302300      -1.466300      0.1578000    
 C    4.502200     -0.9493000     -0.3306000    
 C    5.929000       1.193600      -2.286800    
 C    3.495300      -3.450600       1.454400    
 C    6.743700      -1.693400     -5.2000001E-02
 H  -0.7298000       2.660600       1.981500    
 H   -2.907900       1.702800       2.235000    
 H   -1.756100      0.3999000       2.523600    
 H   -2.271300       3.518200      0.3637000    
 H  -0.7374000       3.315900     -0.4777000    
 H   -2.135400     -0.5196000      0.2703000    
 H   -3.638600     -0.2764000       1.174900    
 H   -1.516600       1.223700      -1.517400    
 H   -2.661900       2.533900      -1.815700    
 H   -4.391300      0.9494000      -2.240900    
 H   -3.335800     -0.4097000      -1.921800    
 H  -4.7300000E-02  0.2795000      0.3939000    
 H   -4.028900      -2.205800     -0.3684000    
 H   -6.597900       1.144300      -1.245200    
 H   -5.950300      -3.421700      0.5868000    
 H   -8.517100     -9.0999998E-02 -0.2979000    
 H    1.378500      -1.037900      0.9745000    
 H    3.821900       2.368200     -6.4700000E-02
 H   -8.198600      -2.373400      0.6207000    
 H    6.922600       1.590400      -2.512100    
 H    5.787500      0.2650000      -2.848900    
 H    5.180000       1.932900      -2.587600    
 H    2.918100      -3.053600       2.295600    
 H    3.286800      -4.519800       1.361100    
 H    4.566100      -3.317900       1.637800    
 H    7.175800      -2.696700      7.0000002E-03
 H    7.431400      -1.062500     -0.6217000    
 H    6.631000      -1.310700      0.9685000    


%chk=000044587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044587

0 1
O 1.444906 3.046903 0.748409
O 5.892974 1.147825 -0.917624
O 3.304830 -2.710338 0.879659
O 5.805726 -1.651688 -0.331731
N -3.411183 0.894342 -0.462424
N 0.033872 1.206042 0.831518
C -1.171602 2.017039 1.117454
C -2.270620 1.126327 1.740470
C -1.721550 2.705683 -0.160918
C -2.884351 0.156518 0.708810
C -2.348517 1.688431 -1.132170
C -4.137352 0.013107 -1.407183
C -5.448417 -0.527396 -0.842356
C 1.282250 1.784179 0.688423
C 2.440145 0.846823 0.448761
C -5.871714 -1.845712 -1.140650
C -6.287191 0.298807 -0.051796
C -7.113670 -2.329862 -0.668003
C -7.525576 -0.183076 0.425939
C 2.397356 -0.530836 0.759136
C 3.621875 1.399866 -0.101241
C -7.945519 -1.499013 0.117013
C 4.726606 0.572756 -0.353422
C 3.517231 -1.369999 0.535062
C 4.705115 -0.818161 -0.029495
C 6.138460 0.756387 -2.325556
C 4.433080 -3.600626 1.205520
C 7.062762 -1.325995 0.388274
H -0.857496 2.802269 1.828909
H -3.074868 1.783102 2.119361
H -1.865149 0.559245 2.600076
H -2.495023 3.435816 0.144789
H -0.904833 3.260883 -0.654705
H -2.122887 -0.609940 0.389155
H -3.713086 -0.405380 1.174387
H -1.544384 1.024114 -1.546355
H -2.800714 2.221818 -1.989137
H -4.356098 0.619627 -2.309595
H -3.504029 -0.845646 -1.751349
H -0.083618 0.204782 0.671221
H -5.226451 -2.497334 -1.743770
H -5.944007 1.311720 0.187170
H -7.428034 -3.352411 -0.906689
H -8.164509 0.465441 1.036650
H 1.530221 -0.998755 1.236783
H 3.666265 2.467812 -0.330923
H -8.907104 -1.872940 0.486701
H 7.074061 1.260388 -2.612061
H 6.246161 -0.340050 -2.416829
H 5.309426 1.109545 -2.967551
H 5.086457 -3.147116 1.975395
H 3.955788 -4.505975 1.611907
H 5.026960 -3.837717 0.309479
H 7.820399 -2.010169 -0.023374
H 7.347775 -0.274900 0.212333
H 6.936352 -1.508660 1.473043


