%chk=000073397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073397

0 1
 O    4.008100      -1.037200       1.408100    
 O    4.046600      -1.627200      -1.306100    
 O   -4.670400     -9.8999999E-02 -0.1534000    
 O   -3.661900      -2.688000     -0.2341000    
 N  -0.6040000       2.753800     -0.2480000    
 C   0.3222000       2.172900      0.7615000    
 C    1.320500       1.157200      0.1999000    
 C   4.3400001E-02   2.951900      -1.550200    
 C   0.4655000       1.603600      -2.125000    
 C    1.384500      0.8876000      -1.178200    
 C  -0.5261000       1.508700       1.863200    
 C    2.233600      0.5106000       1.051000    
 C   -1.171200       4.029600      0.2058000    
 C   -1.361600      0.3964000       1.304900    
 C    2.291500     -6.1900001E-02  -1.670700    
 C    3.145200     -0.4216000      0.5522000    
 C    3.167500     -0.7148000     -0.8070000    
 C   -2.641000      0.6658000      0.8299000    
 C  -0.8513000     -0.8973000       1.266800    
 C   -3.418600     -0.3694000      0.3113000    
 C   -1.628900      -1.932500      0.7482000    
 C   -2.912500      -1.668600      0.2704000    
 C    5.265700     -0.4016000       1.628800    
 C    3.612400      -2.985000      -1.358600    
 C   -4.788600      0.2519000      -1.530800    
 C   -3.070700      -3.986100     -0.2397000    
 H   0.9270000       2.978800       1.201000    
 H   0.9077000       3.624100      -1.461700    
 H  -0.6583000       3.412200      -2.256900    
 H   0.9693000       1.773000      -3.084100    
 H  -0.4125000      0.9735000      -2.314200    
 H   -1.174000       2.238800       2.363600    
 H   0.1019000       1.121400       2.675500    
 H    2.242400      0.7350000       2.115200    
 H   -1.735700       3.919200       1.135900    
 H   -1.883400       4.414700     -0.5332000    
 H  -0.3971000       4.789600      0.3622000    
 H    2.320800     -0.2828000      -2.735400    
 H   -3.050300       1.671800      0.8695000    
 H   0.1295000      -1.134500       1.665200    
 H   -1.173800      -2.916900      0.7549000    
 H    5.825500     -0.3190000      0.6919000    
 H    5.841500      -1.014900       2.327200    
 H    5.122000      0.5899000       2.069700    
 H    4.423900      -3.588300      -1.774700    
 H    2.735600      -3.082000      -2.006600    
 H    3.380600      -3.354400     -0.3547000    
 H   -4.437100     -0.5656000      -2.168200    
 H   -4.222500       1.164400      -1.743800    
 H   -5.844200      0.4361000      -1.748300    
 H   -2.182400      -4.022200     -0.8795000    
 H   -3.804300      -4.672300     -0.6757000    
 H   -2.867700      -4.341400      0.7763000    


%chk=000073397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073397

0 1
O 4.127229 -0.900822 1.339577
O 3.944715 -1.500762 -1.526335
O -4.450614 0.047799 -0.812831
O -3.815817 -2.692937 -0.412397
N -0.468497 3.103676 0.031458
C 0.342019 2.282532 0.972699
C 1.312592 1.322137 0.281482
C 0.043019 3.227183 -1.349992
C 0.251147 1.828463 -1.956270
C 1.248329 1.057243 -1.111208
C -0.605375 1.498430 1.959606
C 2.294896 0.666920 1.062080
C -0.873515 4.395076 0.611149
C -1.420995 0.384206 1.326464
C 2.132561 0.111020 -1.680389
C 3.183805 -0.264579 0.493260
C 3.079581 -0.572408 -0.893852
C -2.540963 0.670967 0.504489
C -1.085173 -0.973374 1.540176
C -3.310772 -0.351935 -0.084605
C -1.846404 -2.015109 0.963003
C -2.970833 -1.718925 0.158599
C 5.541094 -0.616493 1.002111
C 3.790628 -2.894405 -1.050184
C -4.595353 -0.480017 -2.183430
C -3.540567 -4.092766 -0.085417
H 0.956811 2.959234 1.621526
H 1.003190 3.802180 -1.405109
H -0.710660 3.789193 -1.933972
H 0.607762 1.911467 -2.999743
H -0.726641 1.308597 -1.972171
H -1.276731 2.241324 2.432432
H 0.024845 1.082393 2.768339
H 2.398830 0.878053 2.132649
H -1.372266 4.240262 1.584368
H -1.596440 4.894523 -0.058897
H -0.014597 5.093856 0.776564
H 2.093197 -0.116286 -2.751601
H -2.822765 1.707272 0.298517
H -0.218816 -1.225224 2.162824
H -1.565587 -3.054335 1.159883
H 5.766503 -0.913486 -0.038036
H 6.138007 -1.209381 1.712182
H 5.755320 0.460893 1.138458
H 4.544234 -3.478632 -1.600435
H 2.776234 -3.267306 -1.289209
H 3.966245 -2.962325 0.038908
H -4.682325 -1.579067 -2.178575
H -3.734395 -0.171631 -2.809771
H -5.518561 -0.020593 -2.569452
H -2.551196 -4.412512 -0.467726
H -4.334288 -4.666122 -0.587172
H -3.588349 -4.265465 1.007276


