%chk=000011835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011835

0 1
 O    2.464700      8.3400004E-02  0.3308000    
 O   -1.578700      -2.310200       1.010300    
 O   -4.265100      -2.430100      0.7840000    
 O    4.157800      -3.044700      -1.656100    
 N   -6.363700       2.572700     -0.5671000    
 N   -4.493600     -0.1238000      0.9824000    
 C   -6.396100      9.5200002E-02 -0.5816000    
 C   -5.910300       1.376300      -1.265800    
 C   -5.932600     -6.1900001E-02  0.8653000    
 C    2.270400      -2.180900     -0.5266000    
 C    1.752900      -1.074400      0.1449000    
 C   -5.822800       3.776500      -1.201100    
 C   -7.826300       2.629100     -0.5365000    
 C   -3.780600      -1.311300      0.9312000    
 C  -0.3148000      -2.266800      0.5060000    
 C   0.4582000      -1.116100      0.6629000    
 C   -2.292500      -1.076800       1.079500    
 C    3.751800      0.1565000     -0.1796000    
 C    1.499700      -3.335000     -0.6856000    
 C    3.638900      -2.110400      -1.060900    
 C   0.2050000      -3.373700     -0.1667000    
 C    4.361800     -0.8420000     -0.8377000    
 C    4.428400       1.443000      8.1000000E-02
 C    5.815900       1.487000      0.2394000    
 C    3.684200       2.622100      0.1705000    
 C    6.455000       2.702000      0.4858000    
 C    4.323500       3.837200      0.4169000    
 C    5.708900       3.877000      0.5746000    
 H   -7.486700      4.4000000E-03 -0.6308000    
 H   -6.010900     -0.7531000      -1.163500    
 H   -6.255400       1.373800      -2.308500    
 H   -4.813800       1.360400      -1.301200    
 H   -6.277300      0.7680000       1.489900    
 H   -6.356300     -0.9833000       1.280600    
 H   -3.991800      0.7514000       1.102300    
 H   -4.727200       3.755300      -1.195400    
 H   -6.120100       4.672200     -0.6444000    
 H   -6.161000       3.885500      -2.237900    
 H   -8.160800       3.583100     -0.1112000    
 H   -8.253100       1.861700      0.1163000    
 H   -8.268900       2.536500      -1.535100    
 H   9.3800001E-02 -0.2482000       1.205200    
 H   -2.107100     -0.6069000       2.052000    
 H   -2.006300     -0.3954000      0.2672000    
 H    1.887400      -4.206100      -1.205900    
 H  -0.3959000      -4.270800     -0.2899000    
 H    5.363400     -0.7779000      -1.246500    
 H    6.430200      0.5915000      0.1993000    
 H    2.604400       2.621600      4.3499999E-02
 H    7.533200       2.733000      0.6136000    
 H    3.743000       4.752700      0.4845000    
 H    6.206400       4.823100      0.7672000    


%chk=000011835-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011835

0 1
O 2.574271 0.849908 -0.381070
O -2.240402 0.168908 -0.465767
O -3.964942 0.544613 -3.652745
O 2.718158 0.060608 3.723098
N -6.099120 -0.032086 1.120914
N -4.645095 -0.145152 -1.515302
C -6.963720 0.750931 -1.136918
C -6.492493 1.135443 0.286084
C -6.070946 -0.324822 -1.813841
C 1.391631 0.267961 1.702363
C 1.388925 0.542942 0.313021
C -5.386080 0.391567 2.348035
C -7.237254 -0.923145 1.438688
C -3.725535 0.279434 -2.431934
C -1.003005 0.220423 0.181953
C 0.212553 0.525805 -0.465978
C -2.285765 0.422956 -1.916511
C 3.797213 0.886827 0.316871
C 0.147209 -0.034647 2.320187
C 2.661748 0.299628 2.469272
C -1.037746 -0.060260 1.579736
C 3.845639 0.629777 1.670691
C 4.930837 1.226064 -0.570206
C 6.269285 1.192407 -0.087515
C 4.701319 1.593657 -1.925308
C 7.344126 1.522580 -0.935350
C 5.780635 1.923301 -2.770652
C 7.106485 1.890872 -2.281154
H -8.006552 0.378874 -1.123055
H -6.965015 1.673680 -1.747401
H -7.287635 1.748227 0.782205
H -5.599399 1.782521 0.198888
H -6.366050 -1.330388 -1.461385
H -6.193367 -0.292939 -2.909887
H -4.364320 -0.308283 -0.540795
H -4.497455 0.988868 2.074788
H -5.047098 -0.499468 2.906778
H -6.018986 1.007298 3.034313
H -6.873965 -1.799837 2.003649
H -7.708829 -1.289949 0.511191
H -8.026389 -0.417844 2.050072
H 0.279237 0.746844 -1.533515
H -1.935447 1.448401 -2.142140
H -1.646241 -0.303136 -2.455506
H 0.157783 -0.246976 3.394035
H -2.000889 -0.296801 2.041037
H 4.797950 0.674229 2.202951
H 6.477560 0.900674 0.946692
H 3.676326 1.619404 -2.303935
H 8.368346 1.489869 -0.548700
H 5.587085 2.206042 -3.811026
H 7.944621 2.146590 -2.938421


