%chk=000097515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097515

0 1
 O   -1.626500     -0.9648000      0.9884000    
 O   -1.940000       2.234000      0.9286000    
 O   -3.826500      -2.736900       1.030900    
 N   0.4988000     -0.3003000      0.1697000    
 N   -3.791400       1.264400     -0.9373000    
 N    1.837500      -1.478800      -1.167200    
 N    2.134600       1.156900       1.219000    
 N    4.384600      0.7064000      0.3879000    
 N    4.834700     -0.9746000      -1.254800    
 C   -2.636100      0.4540000     -0.5940000    
 C   -1.481200       1.229600      2.4400000E-02
 C   -2.919000     -0.5982000      0.4722000    
 C  -0.7331000      0.1548000      0.8170000    
 C   -3.631500      -1.834900     -4.6300001E-02
 C    1.760200      0.1783000      0.3812000    
 C   0.5966000      -1.294100     -0.7676000    
 C   -3.441800       2.290500      -1.912200    
 C    2.575300     -0.5651000     -0.4574000    
 C    3.935000     -0.2712000     -0.4354000    
 C    3.469800       1.350100       1.152800    
 H   -2.266200     -6.1099999E-02  -1.491700    
 H  -0.8586000       1.727000     -0.7273000    
 H  -0.4527000      0.4973000       1.819900    
 H   -3.477700     -0.1760000       1.318100    
 H   -3.026700      -2.347000     -0.8018000    
 H   -4.606600      -1.581500     -0.4727000    
 H   -4.164400       1.711400     -0.1003000    
 H   -1.154200       2.662600       1.309000    
 H  -0.2611000      -1.846600      -1.126500    
 H   -4.354600       2.807600      -2.225600    
 H   -2.994300       1.853000      -2.810800    
 H   -2.765300       3.047800      -1.505200    
 H   -4.281200      -3.517700      0.6718000    
 H    3.864600       2.126400       1.799400    
 H    4.501600      -1.703800      -1.870900    
 H    5.817800     -0.7419000      -1.221700    


%chk=000097515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097515

0 1
O -1.646375 -1.436201 0.195607
O -0.957848 2.134420 0.161921
O -4.361967 -2.720680 0.489762
N 0.634935 -0.773707 0.205779
N -3.655744 1.617736 -0.123898
N 2.473616 -2.110008 -0.098644
N 1.744534 1.456292 0.196814
N 4.171977 1.269791 -0.105552
N 5.283202 -0.798324 -0.362888
C -2.753265 0.572364 -0.609490
C -1.200723 0.844935 -0.449218
C -2.982244 -0.768012 0.160909
C -0.738695 -0.329943 0.465180
C -3.998719 -1.685620 -0.487947
C 1.728839 0.087167 0.121970
C 1.136383 -2.079110 0.072163
C -3.896517 2.732210 -1.070029
C 2.856154 -0.755828 -0.063959
C 4.119936 -0.105904 -0.180253
C 3.011104 1.961953 0.074130
H -2.968200 0.413809 -1.682887
H -0.688045 0.751415 -1.428898
H -0.822068 -0.000062 1.526258
H -3.302692 -0.546681 1.200375
H -3.561200 -2.129351 -1.407593
H -4.880588 -1.065830 -0.756038
H -3.323405 1.981257 0.780472
H 0.055467 2.204791 0.244966
H 0.476002 -2.940918 0.100492
H -4.610652 3.441713 -0.615631
H -4.362302 2.337418 -1.992235
H -2.976602 3.290514 -1.347252
H -5.012281 -3.345161 0.081240
H 3.105332 3.050220 0.125059
H 5.264207 -1.814714 -0.419187
H 6.158841 -0.284350 -0.437899


