%chk=000052780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052780

0 1
 O  -0.9098000       1.480600      1.8999999E-02
 O    4.110100       1.813500     -2.7999999E-03
 O    4.994600     -0.8216000     -1.7999999E-02
 N   -2.904200     -0.4132000      2.4700001E-02
 N   -4.873500      0.2097000     -0.7351000    
 C   -1.508100     -0.8531000      1.4100000E-02
 C   0.9280000      1.4800000E-02  5.7999999E-03
 C  -0.4975000      0.3028000      1.3800000E-02
 C    1.851200       1.060400      5.2999998E-03
 C    1.372000      -1.307600     -1.6000000E-03
 C   -3.648800     -0.1820000       1.131400    
 C    3.218200      0.7838000     -2.4000001E-03
 C   -3.661300     -0.1710000      -1.072300    
 C    2.739100      -1.584200     -9.3999999E-03
 C    3.662200     -0.5385000     -9.7000003E-03
 C   -4.872200      0.2055000      0.6373000    
 H   -1.368000      -1.470000      0.9082000    
 H   -1.378600      -1.461200     -0.8876000    
 H    1.524100       2.097400      1.0900000E-02
 H   0.6903000      -2.152100     -1.7000000E-03
 H   -3.273300     -0.3021000       2.138000    
 H   -3.294700     -0.2817000      -2.083700    
 H    3.071800      -2.618700     -1.5300000E-02
 H   -5.751900      0.4818000       1.200100    
 H    5.008500       1.440000     -8.8000000E-03
 H    5.113400      -1.787000     -2.2399999E-02


%chk=000052780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052780

0 1
O -0.925998 1.497229 0.258621
O 4.157064 1.805856 0.222101
O 5.091564 -0.704326 -0.077174
N -2.938625 -0.436167 0.006090
N -5.044330 -0.028691 -0.739025
C -1.543818 -0.858815 -0.002363
C 0.925168 -0.037985 0.052168
C -0.529036 0.310092 0.110607
C 1.863424 1.026387 0.162255
C 1.391368 -1.372188 -0.106674
C -3.642687 0.122137 1.082143
C 3.238347 0.763863 0.114438
C -3.828575 -0.499187 -1.070138
C 2.775347 -1.641992 -0.155150
C 3.691360 -0.578607 -0.045024
C -4.933234 0.361783 0.607748
H -1.355976 -1.567779 0.828194
H -1.354243 -1.410089 -0.941859
H 1.502558 2.051768 0.283627
H 0.692826 -2.209359 -0.193198
H -3.171606 0.321670 2.040419
H -3.542738 -0.890864 -2.044263
H 3.134888 -2.670959 -0.277086
H -5.778415 0.791868 1.139659
H 5.079321 1.440344 0.167854
H 5.387644 -1.639687 -0.186170


