%chk=000133952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133952

0 1
 O   0.2154000     -0.3955000       2.010900    
 O   0.6943000       2.589700      -1.050300    
 O    3.132300      -1.077100      -1.268600    
 O   -6.457200      0.3869000     -0.1061000    
 O   -5.929300      -1.633700     -0.7823000    
 N    2.191900      0.4422000      0.2119000    
 N   -5.609800     -0.5159000     -0.3098000    
 N    5.611500     -0.6828000     -0.3502000    
 N    6.765300     -0.4989000      8.2400002E-02
 N    7.823300     -0.3336000      0.4754000    
 C   0.8224000      0.2863000     -0.2401000    
 C  -0.1419000      0.4938000      0.9477000    
 C   -1.591900      0.2255000      0.6144000    
 C   0.5683000       1.224200      -1.426100    
 C   -2.531800       1.217700      0.8367000    
 C   -1.950400      -1.006400      9.3300000E-02
 C    3.238300     -0.2653000     -0.3530000    
 C   -3.869800      0.9706000      0.5289000    
 C   -3.288300      -1.253300     -0.2146000    
 C   -4.248000     -0.2649000      3.1999999E-03
 C    4.555400      9.0700001E-02  0.2964000    
 H   0.7354000     -0.7448000     -0.6040000    
 H  -2.6300000E-02   1.510100       1.344700    
 H    1.289200       1.031500      -2.228500    
 H  -0.4354000       1.072800      -1.835900    
 H    2.390400       1.146700      0.9170000    
 H   -2.249200       2.183700       1.244700    
 H   -1.220000      -1.792700     -7.0900001E-02
 H    1.149800     -0.2333000       2.225500    
 H   -4.589900       1.764100      0.7117000    
 H   -3.546800      -2.228300     -0.6199000    
 H   0.5196000       3.122000      -1.845200    
 H    4.499700     -0.1476000       1.364900    
 H    4.733200       1.165300      0.1735000    


%chk=000133952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133952

0 1
O 0.303046 -0.187015 2.070301
O 0.856847 2.184529 -1.407311
O 2.890131 -2.044097 0.025337
O -6.300050 0.529052 -0.932245
O -6.155767 -1.538078 0.020920
N 2.300882 0.226621 0.055692
N -5.642522 -0.405402 -0.328027
N 4.779177 1.069619 0.467914
N 5.918165 1.581388 0.674679
N 6.900921 2.221199 0.854877
C 0.890377 0.036858 -0.325205
C -0.032257 0.538619 0.843165
C -1.504899 0.296760 0.558013
C 0.614153 0.747560 -1.655815
C -2.277573 1.296172 -0.087775
C -2.111846 -0.932245 0.921208
C 3.194939 -0.820835 0.145544
C -3.635863 1.074498 -0.383744
C -3.469357 -1.170965 0.633813
C -4.211960 -0.162888 -0.020210
C 4.652789 -0.423681 0.424557
H 0.736536 -1.051541 -0.447859
H 0.147481 1.625929 0.969490
H 1.304483 0.355858 -2.429026
H -0.431052 0.573153 -1.975861
H 2.677380 1.183328 0.059288
H -1.808311 2.251025 -0.351558
H -1.513538 -1.676962 1.453083
H 1.290458 -0.181431 2.167608
H -4.253055 1.830424 -0.875974
H -3.960735 -2.108577 0.906562
H 0.865887 2.679563 -2.262731
H 5.279057 -0.863313 -0.375614
H 4.955779 -0.885425 1.384606


