%chk=000014366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014366

0 1
 O   0.5096000     -0.7000000      4.6200000E-02
 O   -3.259700      0.7584000      0.2132000    
 O   -1.021400      -1.490400      -1.472500    
 O   -5.114600     -0.6016000      0.2738000    
 N   -1.573300      -1.145300      0.7543000    
 C    2.786900     -0.1405000     -0.4078000    
 C    1.498900     -0.6469000     -0.9878000    
 C    3.707700      -1.041300      0.1157000    
 C    3.047600       1.225300     -0.3985000    
 C   -2.955600      -1.561400      0.6935000    
 C    4.904700     -0.5702000      0.6551000    
 C    4.244800       1.696200      0.1408000    
 C    5.173100      0.7986000      0.6676000    
 C  -0.7253000      -1.145600     -0.3332000    
 C   -3.904000     -0.4302000      0.3726000    
 C   -4.093000       1.881000     -9.4599999E-02
 C   -3.226300       3.113800     -0.2383000    
 H    1.642600      -1.647600      -1.414200    
 H    1.158200      1.7200001E-02  -1.792000    
 H    3.507800      -2.109200      0.1130000    
 H    2.330400       1.933500     -0.8042000    
 H   -3.063100      -2.332400     -7.5300001E-02
 H   -3.215100      -1.966500       1.675500    
 H   -1.208500     -0.8200000       1.644400    
 H    5.627500      -1.269000       1.066000    
 H    4.453600       2.762000      0.1512000    
 H    6.105100       1.165300       1.087900    
 H   -4.627100       1.692600      -1.032600    
 H   -4.817800       2.030100      0.7135000    
 H   -2.671800       3.304800      0.6865000    
 H   -2.483500       2.972100      -1.030300    
 H   -3.832100       3.992800     -0.4750000    


%chk=000014366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014366

0 1
O 0.528649 -0.304666 -1.452701
O -3.414229 1.076626 0.389188
O 0.083073 -2.275741 -0.215676
O -4.490528 -0.511645 1.716536
N -1.405134 -0.469451 -0.271993
C 2.943791 -0.427565 -0.836316
C 1.875753 -0.859407 -1.818501
C 3.197235 -1.191215 0.333095
C 3.703618 0.745923 -1.073367
C -2.396867 -1.110411 0.586966
C 4.190506 -0.781780 1.250097
C 4.697811 1.156088 -0.157225
C 4.943140 0.391742 1.007333
C -0.242899 -1.119742 -0.601800
C -3.541828 -0.183405 0.972397
C -4.494275 2.067888 0.704465
C -4.128550 3.364669 -0.007992
H 1.785695 -1.958460 -1.865795
H 2.050346 -0.441877 -2.822742
H 2.602629 -2.092974 0.518140
H 3.513835 1.339476 -1.976389
H -2.840270 -2.002469 0.100951
H -1.930007 -1.481857 1.519635
H -1.578146 0.480374 -0.603784
H 4.379929 -1.377351 2.150193
H 5.280930 2.063501 -0.350648
H 5.715664 0.706399 1.718251
H -5.453977 1.645173 0.357658
H -4.541125 2.181330 1.802034
H -3.155796 3.749304 0.342964
H -4.074599 3.216928 -1.100093
H -4.898075 4.130197 0.199619


