%chk=000083589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083589

0 1
 O    3.882200       1.251700     -0.7122000    
 O   -2.465400     -0.3331000      0.4888000    
 O    2.117100      -2.561400      -2.198300    
 O    4.122500      2.4300000E-02   1.214200    
 O    1.609300      -4.086900     -0.6066000    
 O   -1.339000      -1.031000       2.380200    
 N    2.694800     -0.6457000     -0.4884000    
 C    4.825700       2.207000     -0.2143000    
 C    2.199200      -1.854900      0.1155000    
 C   0.9684000      -1.596700      0.9917000    
 C  -0.2563000      -1.098800      0.2244000    
 C    4.277700       2.801500       1.082300    
 C    4.986100       3.292100      -1.276900    
 C    6.154800       1.494700      3.2000002E-02
 C    3.614900      0.1937000      0.1104000    
 C    1.940800      -2.946300     -0.9114000    
 C   -1.392500     -0.8198000       1.175600    
 C   -3.625600     -5.1399998E-02   1.278000    
 C   -4.710600      0.4727000      0.3839000    
 C   -4.818600       1.843300      0.1480000    
 C   -5.611300     -0.4105000     -0.2117000    
 C   -5.827100       2.330700     -0.6833000    
 C   -6.619700      7.7000000E-02  -1.043100    
 C   -6.727500       1.447600      -1.278800    
 H    3.003000      -2.239200      0.7568000    
 H   0.7052000      -2.523600       1.518700    
 H    1.231600     -0.8663000       1.768500    
 H  -0.5901000      -1.852300     -0.4962000    
 H  -2.0500001E-02 -0.1699000     -0.3053000    
 H    2.342400     -0.3833000      -1.404200    
 H    3.219500       3.066700      0.9749000    
 H    4.357600       2.146200       1.953200    
 H    4.826800       3.713000       1.347000    
 H    4.023900       3.771400      -1.490700    
 H    5.333900       2.860800      -2.222600    
 H    5.696700       4.065200     -0.9668000    
 H    6.186200      0.8914000      0.9427000    
 H    6.406000      0.8318000     -0.8042000    
 H    6.966000       2.225200      0.1358000    
 H   -3.960600     -0.9657000       1.783700    
 H   -3.378900      0.6900000       2.048200    
 H    1.944800      -3.294300      -2.827200    
 H   -4.121700       2.541300      0.6045000    
 H   -5.536200      -1.480600     -3.7400000E-02
 H   -5.910900       3.397800     -0.8675000    
 H   -7.320600     -0.6105000      -1.507300    
 H   -7.512500       1.827000      -1.926400    


%chk=000083589-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083589

0 1
O 4.053795 1.168572 -0.636215
O -2.469220 -0.205277 0.475238
O 1.818362 -2.314314 -2.435374
O 3.966477 -0.182509 1.322155
O 1.391384 -4.059600 -0.962496
O -1.183592 -0.432589 2.407817
N 2.753686 -0.681149 -0.614269
C 5.032327 2.183694 -0.056541
C 2.177927 -1.907410 -0.056836
C 0.965022 -1.644952 0.891776
C -0.204599 -0.935976 0.185653
C 4.392488 2.870988 1.166243
C 5.202123 3.162064 -1.231523
C 6.358477 1.476827 0.288598
C 3.627256 0.082828 0.135912
C 1.769891 -2.886761 -1.152655
C -1.291415 -0.516075 1.162632
C -3.616724 0.258092 1.339590
C -4.787358 0.541183 0.433181
C -5.069183 1.865180 0.013247
C -5.626467 -0.513631 -0.008045
C -6.167688 2.132578 -0.834409
C -6.723272 -0.250921 -0.857442
C -6.997008 1.074079 -1.271818
H 2.949992 -2.409955 0.558060
H 0.635336 -2.613341 1.308681
H 1.328207 -1.030429 1.732628
H -0.666689 -1.564903 -0.597236
H 0.160047 -0.021258 -0.323527
H 2.595388 -0.447844 -1.595488
H 3.417160 3.312696 0.894741
H 4.245675 2.154136 1.989223
H 5.053041 3.684711 1.517784
H 4.232994 3.615374 -1.502413
H 5.603000 2.639854 -2.117281
H 5.902450 3.968814 -0.950850
H 6.220259 0.760759 1.113735
H 6.750123 0.939727 -0.593608
H 7.107690 2.230377 0.593589
H -3.824466 -0.544717 2.069268
H -3.282757 1.152698 1.893981
H 1.527504 -2.982864 -3.112336
H -4.426072 2.687130 0.350760
H -5.416288 -1.540840 0.313455
H -6.377377 3.160462 -1.150328
H -7.365419 -1.073171 -1.192042
H -7.850988 1.279561 -1.927014


