%chk=000055358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055358

0 1
 O   0.7867000      -2.055900      0.1732000    
 O    1.503300      -1.425400      -1.933300    
 O   -4.952800      0.5879000      0.7229000    
 N    3.921500       1.529500      0.1348000    
 C   0.5402000      0.1838000     -0.4946000    
 C    1.526900       1.059900      0.2107000    
 C    1.184600       1.327700      -1.221200    
 C    2.898500      0.5653000      0.5378000    
 C  -0.9090000      0.2911000     -0.1731000    
 C    1.000900      -1.179700     -0.8460000    
 C   -1.831800      0.5585000      -1.185700    
 C   -1.348100      0.1235000       1.141100    
 C    5.255000       1.027100      0.4633000    
 C    3.688800       2.821300      0.7796000    
 C   -3.190200      0.6582000     -0.8846000    
 C   -2.706600      0.2230000       1.442000    
 C   -3.627600      0.4904000      0.4291000    
 C    1.201600      -3.402400     -7.7399999E-02
 C   0.8980000      -4.247000       1.141800    
 C   -5.839700      0.8631000     -0.3605000    
 H    1.149000       1.750800      0.9569000    
 H    1.927100       1.122200      -1.984000    
 H   0.6120000       2.226000      -1.427100    
 H    3.119800     -0.3839000      4.0199999E-02
 H    2.947600      0.3635000       1.616300    
 H   -1.505900      0.6859000      -2.214800    
 H  -0.6427000     -8.7600000E-02   1.940600    
 H    6.025500       1.726300      0.1192000    
 H    5.386300      0.8726000       1.540600    
 H    5.446600      7.6800004E-02 -4.7600001E-02
 H    2.779200       3.307000      0.4117000    
 H    3.629700       2.737900       1.871100    
 H    4.503100       3.516300      0.5417000    
 H   -3.851000      0.8664000      -1.719300    
 H   -3.041500      9.0800002E-02   2.467200    
 H   0.6599000      -3.795700     -0.9448000    
 H    2.278000      -3.420200     -0.2817000    
 H    1.203000      -5.285300      0.9844000    
 H    1.418900      -3.854600       2.021500    
 H  -0.1728000      -4.223100       1.369800    
 H   -6.852300      0.9066000      5.3900000E-02
 H   -5.635500       1.841200     -0.8092000    
 H   -5.832000      5.6699999E-02  -1.101600    


%chk=000055358-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055358

0 1
O 0.404471 -2.286248 -0.020573
O 2.391274 -1.682431 -1.066116
O -4.795431 0.591445 0.992195
N 4.093565 1.970052 0.199834
C 0.742956 0.050329 -0.479840
C 1.733027 1.172198 0.005815
C 1.389101 1.058104 -1.466145
C 3.137496 0.879922 0.518109
C -0.714944 0.212735 -0.121833
C 1.282515 -1.351657 -0.568080
C -1.704435 0.268226 -1.129150
C -1.130301 0.289248 1.233578
C 5.489264 1.551897 0.443745
C 3.773842 3.243055 0.874231
C -3.076357 0.394677 -0.811326
C -2.488413 0.414983 1.572192
C -3.467995 0.465813 0.548116
C 0.854514 -3.711491 -0.070504
C -0.277862 -4.545645 0.519583
C -5.844370 0.646292 -0.027507
H 1.193767 1.954204 0.554504
H 2.169747 0.660007 -2.120398
H 0.725337 1.803763 -1.913672
H 3.514334 -0.042628 0.043914
H 3.086964 0.693895 1.625276
H -1.400831 0.211482 -2.181312
H -0.377908 0.243337 2.029463
H 6.178666 2.351595 0.117740
H 5.707574 1.327399 1.520172
H 5.712120 0.644829 -0.145514
H 2.778766 3.602771 0.561202
H 3.780702 3.163649 1.993146
H 4.513269 4.010222 0.582509
H -3.815856 0.435900 -1.616860
H -2.817328 0.473112 2.614339
H 1.073146 -3.971463 -1.122152
H 1.793629 -3.800062 0.505765
H -0.000641 -5.615766 0.508442
H -0.483645 -4.248943 1.562190
H -1.204789 -4.418075 -0.064951
H -6.786113 0.740313 0.533051
H -5.716711 1.523903 -0.691276
H -5.863915 -0.278447 -0.637000


