%chk=000028705.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028705

0 1
 O    3.239900      7.9999998E-04 -0.5284000    
 O   -2.056800     -1.1000000E-03   1.006800    
 O   -2.661000      1.7000000E-03  -1.238400    
 N   -4.276500     -1.8000000E-03  0.4267000    
 C    1.958700       2.511900     -0.1578000    
 C    1.961000      -2.510700     -0.1582000    
 C    1.259500       1.208200      4.5200001E-02
 C    1.260500      -1.207700      4.5299999E-02
 C    1.929800      5.0000002E-04 -0.1488000    
 C  -8.0300003E-02   1.207800      0.4335000    
 C  -7.9400003E-02  -1.208200      0.4333000    
 C  -0.7497000     -5.0000002E-04  0.6274000    
 C    1.328400       3.346400      -1.287800    
 C    2.029600       3.347400       1.133600    
 C    2.032800      -3.346500       1.133000    
 C    1.331200      -3.345400      -1.288300    
 C   -2.983200     -1.0000000E-03 -5.3900000E-02
 C   -5.444300     -1.8000000E-03 -0.4234000    
 H    3.003500       2.361200     -0.4468000    
 H    3.000900      -2.335400     -0.4594000    
 H  -0.6180000       2.139400      0.5899000    
 H  -0.6163000      -2.140400      0.5896000    
 H   0.3051000       3.655800      -1.049300    
 H    1.915300       4.253700      -1.468600    
 H    1.297800       2.774800      -2.222100    
 H    2.499300       2.775500       1.941700    
 H    2.624700       4.253200      0.9734000    
 H    1.037200       3.659600       1.476200    
 H    2.499400      -2.773200       1.941900    
 H    2.631800      -4.249600      0.9727000    
 H    1.041100      -3.662300       1.474200    
 H   0.3105000      -3.660800      -1.046800    
 H    1.922700      -4.248700      -1.473600    
 H    1.293500      -2.771500      -2.220900    
 H    3.352900      0.6396000      -1.252000    
 H   -4.414900     -2.4999999E-03   1.432600    
 H   -5.168300     -5.9000002E-03  -1.480400    
 H   -6.031100      0.8915000     -0.1965000    
 H   -6.035300     -0.8909000     -0.1907000    


%chk=000028705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028705

0 1
O 3.351610 -0.011157 -0.206039
O -2.223018 -0.531548 0.392038
O -3.067610 1.681208 0.065952
N -4.441168 -0.174637 0.496537
C 1.837276 2.502421 -0.094100
C 2.226135 -2.611757 -0.092155
C 1.161901 1.130363 0.034138
C 1.362509 -1.352994 0.017000
C 1.944108 -0.058124 -0.043299
C -0.240679 1.012294 0.177953
C -0.040913 -1.435485 0.147246
C -0.826337 -0.269301 0.226365
C 2.162004 2.806439 -1.587473
C 1.025495 3.662022 0.526044
C 1.947320 -3.617984 1.053487
C 2.035115 -3.285610 -1.479055
C -3.234851 0.456913 0.293420
C -5.712252 0.551398 0.472341
H 2.802826 2.475672 0.465823
H 3.280728 -2.292549 -0.017506
H -0.872686 1.897603 0.237587
H -0.539508 -2.408545 0.194485
H 1.222891 2.904887 -2.161228
H 2.724627 3.753897 -1.682627
H 2.754576 1.999806 -2.056923
H 0.765000 3.456891 1.579617
H 1.612976 4.597524 0.489042
H 0.086926 3.838436 -0.030030
H 2.095500 -3.148907 2.042828
H 2.630673 -4.484064 0.975016
H 0.912328 -4.006418 1.013039
H 0.989516 -3.620736 -1.615282
H 2.693180 -4.169754 -1.573947
H 2.277201 -2.584305 -2.297488
H 3.675124 0.920647 -0.133000
H -4.419066 -1.180250 0.665738
H -5.493540 1.611704 0.269438
H -6.235884 0.477666 1.443570
H -6.378033 0.169433 -0.323650


