%chk=000084751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084751

0 1
 O    2.911000      -2.190700     -0.3705000    
 O   -1.597900      -3.495900      0.6299000    
 N    1.274000       2.684900      0.3539000    
 N   -1.005200      -1.239300      0.4653000    
 C  -0.5334000       1.141800      0.3220000    
 C   0.1020000     -0.2771000      0.3972000    
 C   0.2556000       2.122200     -0.5641000    
 C   0.9249000     -0.7166000     -0.8268000    
 C    1.829700      0.3721000      -1.414800    
 C   0.9001000       1.526900      -1.811000    
 C    2.933400      0.9643000     -0.5190000    
 C  -0.5233000       1.851900       1.702100    
 C    2.387600       1.770200      0.6773000    
 C    1.506100      -2.127100     -0.5753000    
 C   0.5014000       2.982200       1.570700    
 C   -1.953700      0.7856000     -5.1100001E-02
 C   -2.199900     -0.5848000      0.1348000    
 C    3.994600     -5.6000002E-02 -7.8199998E-02
 C   0.7394000      -2.916600      0.5192000    
 C  -0.7595000      -2.603100      0.5461000    
 C    3.464500      -1.313700      0.5974000    
 C   -2.973500       1.632900     -0.4589000    
 C   -3.454500      -1.131000     -7.9400003E-02
 C   -4.242300       1.093100     -0.6795000    
 C   -4.481100     -0.2762000     -0.4876000    
 H   0.6852000     -0.4021000       1.313800    
 H  -0.3925000       2.946900     -0.8904000    
 H   0.1840000     -0.9004000      -1.625800    
 H    2.297500     -2.3900000E-02  -2.325800    
 H    1.466300       2.299200      -2.347900    
 H   0.1243000       1.180400      -2.505100    
 H    3.473400       1.695300      -1.141300    
 H  -0.2410000       1.169300       2.511700    
 H   -1.496700       2.280400       1.969700    
 H    2.132900       1.092100       1.496900    
 H    3.205700       2.386100       1.074600    
 H    1.352100      -2.685100      -1.509200    
 H  -2.1600001E-02   3.936700       1.431300    
 H    1.122300       3.092600       2.467000    
 H    4.700500      0.4397000      0.5996000    
 H    4.566600     -0.3532000     -0.9670000    
 H    1.146700      -2.719700       1.517400    
 H   0.8750000      -3.991000      0.3464000    
 H    4.318700      -1.845000       1.032100    
 H    2.780100      -1.105800       1.422700    
 H   -2.804100       2.696300     -0.5900000    
 H   -3.657600      -2.187500      4.7100000E-02
 H   -5.055700       1.740200     -0.9963000    
 H   -5.476000     -0.6762000     -0.6647000    


%chk=000084751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084751

0 1
O 2.957607 -2.247892 -0.377229
O -1.679021 -3.512928 0.454226
N 1.308327 2.703606 0.356079
N -1.045081 -1.254839 0.534478
C -0.557369 1.126102 0.372291
C 0.105635 -0.295120 0.442926
C 0.267574 2.118742 -0.543528
C 0.912512 -0.734760 -0.814311
C 1.833777 0.364804 -1.415283
C 0.888068 1.524516 -1.813820
C 2.968069 0.974391 -0.535377
C -0.525907 1.876088 1.762437
C 2.430809 1.768061 0.683334
C 1.504789 -2.165668 -0.600684
C 0.523200 3.037399 1.580954
C -1.985403 0.788870 -0.047471
C -2.245991 -0.596285 0.140946
C 4.055932 -0.036116 -0.094057
C 0.727239 -2.928340 0.525710
C -0.776011 -2.625095 0.512166
C 3.550265 -1.316056 0.597882
C -3.017463 1.638815 -0.481131
C -3.521723 -1.155392 -0.080625
C -4.304352 1.094725 -0.727121
C -4.547906 -0.284950 -0.523088
H 0.721233 -0.387204 1.354331
H -0.410042 2.951898 -0.820503
H 0.132479 -0.877524 -1.593675
H 2.309521 -0.064969 -2.319485
H 1.445102 2.322946 -2.338130
H 0.089004 1.170523 -2.491880
H 3.469502 1.716137 -1.192562
H -0.248167 1.183826 2.577461
H -1.523809 2.278088 2.007730
H 2.146965 1.052312 1.492907
H 3.258145 2.377876 1.094660
H 1.396165 -2.730892 -1.542897
H 0.002378 3.998965 1.417716
H 1.192423 3.155609 2.450298
H 4.766709 0.477583 0.587868
H 4.639389 -0.359270 -0.977546
H 1.152806 -2.635425 1.506355
H 0.861888 -4.014772 0.417472
H 4.404747 -1.867025 1.029413
H 2.844918 -1.089556 1.424141
H -2.837158 2.710799 -0.624972
H -3.691873 -2.222096 0.078120
H -5.115430 1.745974 -1.070623
H -5.548371 -0.691181 -0.709403


