%chk=000059783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059783

0 1
 O   -2.613100       2.400600     -0.1556000    
 O    4.977500     -0.6114000      0.3374000    
 N   -1.685000      -1.053000      0.3053000    
 C   -3.863100      0.3571000      0.1271000    
 C   -1.308000      0.3811000      0.1716000    
 C   -3.770900     -0.6587000      -1.014200    
 C   -3.783000     -0.3647000       1.475500    
 C   -2.498700      -1.507700     -0.8457000    
 C   -2.502600      -1.218400       1.531300    
 C   -2.597700       1.186900      2.6699999E-02
 C  -0.3593000      0.6455000     -0.9928000    
 C    1.064000      0.3102000     -0.6379000    
 C    1.878800       1.287300     -8.3300002E-02
 C    1.542600     -0.9720000     -0.8700000    
 C    3.198300      0.9765000      0.2455000    
 C    2.862100      -1.283100     -0.5413000    
 C    3.689900     -0.3087000      1.6700000E-02
 C    5.768300      0.4324000      0.9037000    
 H   -4.751200      0.9898000      4.8400000E-02
 H  -0.8417000      0.7108000       1.110300    
 H   -3.736600     -0.1367000      -1.978400    
 H   -4.655900      -1.305400      -1.018300    
 H   -4.663600      -1.002500       1.614400    
 H   -3.771000      0.3667000       2.292900    
 H   -2.780900      -2.557900     -0.6927000    
 H   -1.918000      -1.517900      -1.773600    
 H   -1.910000     -0.9503000       2.414900    
 H   -2.762300      -2.276000       1.665800    
 H  -0.3964000       1.708300      -1.270700    
 H  -0.6467000      0.1330000      -1.917000    
 H    1.504400       2.290500      0.1012000    
 H   0.9076000      -1.737900      -1.306100    
 H    3.785700       1.780200      0.6758000    
 H    3.239500      -2.285700     -0.7224000    
 H    6.762600      1.6400000E-02   1.096500    
 H    5.367700      0.7627000       1.868200    
 H    5.899900       1.263300      0.2023000    


%chk=000059783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059783

0 1
O -2.754788 2.427278 -0.086045
O 5.051500 -0.642767 0.636152
N -1.777061 -1.116367 0.078584
C -3.974420 0.296208 0.171571
C -1.429004 0.343939 0.173024
C -3.971048 -0.610066 -1.101989
C -3.862842 -0.619812 1.428435
C -2.606353 -1.390706 -1.138795
C -2.565141 -1.500951 1.292747
C -2.731786 1.180170 0.079376
C -0.343323 0.819192 -0.828842
C 1.081933 0.453609 -0.434004
C 2.087521 1.446920 -0.375999
C 1.448426 -0.886957 -0.125495
C 3.422977 1.135047 -0.025603
C 2.769403 -1.215384 0.227667
C 3.763290 -0.205457 0.276491
C 6.110464 0.365357 0.692940
H -4.877384 0.928058 0.208870
H -1.022827 0.506835 1.194000
H -4.106206 0.006033 -2.009080
H -4.832291 -1.302476 -1.042009
H -4.769022 -1.251994 1.485229
H -3.835478 -0.005415 2.346749
H -2.774893 -2.481020 -1.185573
H -2.017754 -1.117076 -2.031167
H -1.912346 -1.386936 2.176324
H -2.818637 -2.572568 1.204348
H -0.441017 1.917585 -0.906565
H -0.580385 0.411451 -1.831985
H 1.828663 2.488318 -0.604983
H 0.672830 -1.660342 -0.149340
H 4.171554 1.932619 0.009495
H 3.057101 -2.244067 0.467205
H 7.017512 -0.185080 0.983684
H 5.888388 1.143396 1.449823
H 6.265647 0.844726 -0.293738


