%chk=000066570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066570

0 1
 O   -3.341100      -3.747200      0.3714000    
 O   -2.267500       1.100100      0.6154000    
 O    3.068900     -0.2942000      0.6889000    
 O    2.717200       2.770600       2.050000    
 O    2.800200       2.964800     -0.1351000    
 N   -1.528900      -1.599100      0.4018000    
 N    2.343600       2.429600      0.9027000    
 C   -1.208800      -2.828200     -0.3322000    
 C   -2.516600      -1.752800       1.478800    
 C  -0.5677000     -0.5907000      0.5265000    
 C   -2.496800      -3.524600     -0.7574000    
 C   -3.734700      -2.506000      0.9566000    
 C  -0.9514000      0.7465000      0.6308000    
 C   0.7847000     -0.9321000      0.5461000    
 C    1.753500      6.4099997E-02  0.6703000    
 C   1.7500000E-02   1.742400      0.7545000    
 C    1.369900       1.401200      0.7743000    
 C   -2.690200       1.976800     -0.4267000    
 C   -4.153100       1.697500     -0.7413000    
 C    3.569300     -0.9784000     -0.4574000    
 C    5.050300     -0.6627000     -0.6109000    
 C   -4.669100       2.593500      -1.863600    
 C    5.650000      -1.352600      -1.832800    
 C   -6.117600       2.281800      -2.203900    
 C    7.118500      -1.000200      -2.006900    
 H  -0.6144000      -2.614200      -1.228300    
 H  -0.6356000      -3.499500      0.3192000    
 H   -2.050900      -2.330600       2.287400    
 H   -2.846700     -0.8041000       1.910300    
 H   -2.266100      -4.497500      -1.202700    
 H   -3.039500      -2.936500      -1.507600    
 H   -4.285400      -1.911500      0.2175000    
 H   -4.419100      -2.726700       1.781800    
 H    1.104200      -1.969200      0.4924000    
 H  -0.2809000       2.784500      0.8454000    
 H   -2.084500       1.826600      -1.329800    
 H   -2.567300       3.012200     -8.9100003E-02
 H   -4.267200      0.6413000      -1.016300    
 H   -4.754700       1.837300      0.1655000    
 H    3.425800      -2.055900     -0.3172000    
 H    3.030900     -0.6663000      -1.361700    
 H    5.181300      0.4242000     -0.6867000    
 H    5.584500     -0.9659000      0.2982000    
 H   -4.585700       3.645700      -1.568000    
 H   -4.054200       2.458800      -2.761200    
 H    5.102000      -1.056500      -2.734800    
 H    5.548500      -2.439600      -1.733700    
 H   -6.228100       1.244700      -2.536400    
 H   -6.467100       2.935700      -3.009000    
 H   -6.766200       2.435400      -1.335500    
 H    7.702300      -1.310100      -1.134300    
 H    7.528100      -1.506100      -2.886800    
 H    7.249900      7.8000002E-02  -2.143300    


%chk=000066570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066570

0 1
O -2.857233 -4.171337 0.043534
O -2.485564 0.800674 -0.258747
O 3.149179 0.365882 -0.541910
O 1.188000 4.118389 -0.588716
O 3.166508 3.002605 -0.795353
N -1.274978 -1.748454 -0.156794
N 1.884167 3.012658 -0.631680
C -0.684761 -3.065221 -0.484822
C -2.400220 -1.856246 0.813678
C -0.489174 -0.587743 -0.234422
C -1.791537 -4.031457 -0.955483
C -3.454590 -2.848642 0.303704
C -1.079814 0.730300 -0.279910
C 0.926519 -0.670309 -0.332327
C 1.766098 0.462878 -0.467039
C -0.260510 1.855510 -0.393142
C 1.151467 1.753423 -0.493573
C -3.106586 2.131663 -0.430213
C -4.622748 1.928734 -0.444038
C 3.773714 -0.976185 -0.507777
C 5.282094 -0.752348 -0.626210
C -5.379648 3.264206 -0.641692
C 6.070277 -2.082697 -0.606267
C -6.911183 3.072876 -0.656462
C 7.593735 -1.860070 -0.719841
H 0.045521 -2.948524 -1.305031
H -0.161763 -3.503108 0.395920
H -2.002178 -2.216726 1.788300
H -2.854638 -0.865863 0.954594
H -1.381923 -5.044719 -1.101332
H -2.218248 -3.660856 -1.912817
H -3.921326 -2.457488 -0.625366
H -4.230978 -3.021666 1.066506
H 1.391333 -1.653649 -0.248976
H -0.667672 2.867402 -0.440889
H -2.753379 2.577718 -1.382769
H -2.799096 2.793282 0.405800
H -4.885509 1.224212 -1.256547
H -4.937761 1.459174 0.508194
H 3.518214 -1.481716 0.447362
H 3.390295 -1.585432 -1.353199
H 5.488756 -0.201044 -1.562685
H 5.612621 -0.101707 0.205100
H -5.102747 3.970171 0.167326
H -5.055894 3.734544 -1.592040
H 5.729676 -2.730346 -1.440302
H 5.847836 -2.633908 0.330685
H -7.219168 2.399547 -1.478118
H -7.434495 4.036175 -0.794423
H -7.264739 2.628641 0.292892
H 7.966264 -1.239659 0.116327
H 8.142875 -2.818946 -0.701878
H 7.848912 -1.340292 -1.661931


