%chk=000138365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138365

0 1
 O    1.685100      -2.399800     -2.3600001E-02
 O    1.715500       2.389500     -1.1600000E-02
 O    3.050100     -1.3800000E-02  0.3213000    
 N   -4.743100      1.1400000E-02 -0.1758000    
 C   -2.425500      2.4200000E-02  -1.048700    
 C  -0.9788000      1.3700000E-02 -0.6871000    
 C   -3.331100      2.7500000E-02  0.1911000    
 C  -0.2945000       1.216900     -0.5154000    
 C  -0.3099000      -1.199100     -0.5206000    
 C    1.043400      -1.208500     -0.1824000    
 C    1.058700       1.207500     -0.1774000    
 C    1.727700     -5.1000002E-03 -1.0800000E-02
 C   -5.586400     -3.0700000E-02   1.010100    
 C    1.682900      -2.967500       1.284700    
 C    1.718900       2.950600       1.299600    
 C    3.987000     -1.6700000E-02 -0.7533000    
 H   -2.644800      0.9001000      -1.674000    
 H   -2.652500     -0.8479000      -1.676600    
 H   -3.115700      0.9200000      0.7924000    
 H   -3.096300     -0.8473000      0.8115000    
 H  -0.8114000       2.165100     -0.6427000    
 H  -0.8388000      -2.140100     -0.6521000    
 H   -4.935700     -0.8045000     -0.7562000    
 H   -5.406300     -0.9351000       1.600500    
 H   -6.638500     -3.0600000E-02  0.7087000    
 H   -5.426000      0.8483000       1.642800    
 H   0.6589000      -3.177100       1.609900    
 H    2.173600      -2.296700       1.997000    
 H    2.238800      -3.908500       1.250900    
 H    2.199500       2.269700       2.009200    
 H   0.6973000       3.172200       1.624200    
 H    2.287300       3.884300       1.271200    
 H    3.872700      0.8826000      -1.366700    
 H    3.861800     -0.9112000      -1.371500    
 H    4.994700     -2.3900000E-02 -0.3290000    


%chk=000138365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138365

0 1
O 1.524702 -2.592928 0.083316
O 1.595489 2.363039 -0.000284
O 2.994699 -0.125449 0.468097
N -4.940590 0.027015 -0.292687
C -2.587307 -0.085353 -1.093952
C -1.119773 -0.094866 -0.695768
C -3.527997 -0.029267 0.137323
C -0.419219 1.122292 -0.509020
C -0.447155 -1.314369 -0.443888
C 0.907121 -1.331351 -0.039487
C 0.928111 1.118420 -0.093986
C 1.615747 -0.108841 0.119566
C -5.911568 0.156699 0.811890
C 2.230030 -2.865094 1.354522
C 2.155202 2.686031 1.331333
C 3.876773 0.243675 -0.666330
H -2.819484 0.786562 -1.731848
H -2.825444 -0.995180 -1.680867
H -3.310723 0.887318 0.720097
H -3.304227 -0.896073 0.809910
H -0.904679 2.088077 -0.684370
H -0.953693 -2.276664 -0.574012
H -5.171598 -0.759526 -0.915851
H -5.864437 -0.663766 1.569814
H -6.936845 0.191521 0.402890
H -5.732715 1.109194 1.344545
H 1.507542 -2.877121 2.194091
H 3.014706 -2.112816 1.538774
H 2.671658 -3.865691 1.229323
H 2.863941 1.907319 1.663415
H 1.337858 2.791661 2.070571
H 2.669843 3.650764 1.204070
H 3.648176 1.268291 -1.011911
H 3.750294 -0.476153 -1.495975
H 4.904162 0.192132 -0.273711


