%chk=000059556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059556

1 1
 O  -0.8436000       2.228700      0.5729000    
 N    3.087000     -0.2675000     -0.2147000    
 N   -1.169400     -8.2400002E-02  0.3184000    
 C    1.677900      9.5299996E-02 -0.5482000    
 C    3.899500      0.9878000      0.1183000    
 C    3.127500      -1.205500      0.9957000    
 C    3.753300     -0.9756000      -1.398400    
 C    1.052700      0.7433000      0.6875000    
 C    1.712300       1.025200      -1.755100    
 C    5.312200      0.5853000      0.4810000    
 C    2.381000      -2.479200      0.6642000    
 C  -0.4246000       1.077400      0.5134000    
 C   -2.566700     -0.1870000      0.1198000    
 C   -3.134700      -1.438200     -5.3500000E-02
 C   -3.336500      0.9641000      0.1040000    
 C   -4.512200      -1.541200     -0.2482000    
 C   -4.713900      0.8611000     -9.0599999E-02
 C   -5.301700     -0.3916000     -0.2667000    
 H    1.142400     -0.8092000     -0.8519000    
 H    3.935300       1.646200     -0.7527000    
 H    3.464600       1.508500      0.9726000    
 H    4.166700      -1.503100       1.166500    
 H    2.790300     -0.7040000       1.904900    
 H    4.569100      -1.612000      -1.041400    
 H    3.012600      -1.594800      -1.914700    
 H    4.155200     -0.2314000      -2.093100    
 H    1.072000      0.1132000       1.579900    
 H    1.518600       1.698900      0.9461000    
 H    2.075500       2.030800      -1.522900    
 H   0.6844000       1.171700      -2.112200    
 H    2.259000      0.6359000      -2.616900    
 H    5.914500       1.498500      0.5698000    
 H    5.384400      0.1048000       1.460700    
 H    5.819200     -3.0300001E-02 -0.2649000    
 H    2.516400      -3.185100       1.493000    
 H    1.301400      -2.331800      0.5798000    
 H    2.741500      -2.995000     -0.2288000    
 H  -0.6738000     -0.9706000      0.3313000    
 H   -2.528800      -2.339800     -4.0700000E-02
 H   -2.957800       1.967400      0.2297000    
 H   -4.969900      -2.516500     -0.3854000    
 H   -5.330100       1.755600     -0.1060000    
 H   -6.374100     -0.4717000     -0.4185000    


%chk=000059556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059556

1 1
O -0.535062 -1.042472 -1.052935
N 3.375355 -0.209126 -0.328138
N -1.527148 0.226497 0.662732
C 1.909343 0.292545 -0.625709
C 3.966031 0.554740 0.885095
C 3.386100 -1.739360 -0.023855
C 4.234284 0.040591 -1.567487
C 0.938464 0.058439 0.557933
C 1.851485 1.754095 -1.104638
C 5.407468 0.187621 1.261850
C 2.670424 -2.621926 -1.053743
C -0.456942 -0.294051 -0.027293
C -2.930519 0.030403 0.425320
C -3.823707 0.679455 1.317309
C -3.430929 -0.763167 -0.638343
C -5.215155 0.536506 1.148575
C -4.828371 -0.895382 -0.792281
C -5.724822 -0.252853 0.091176
H 1.568963 -0.362747 -1.447206
H 3.903200 1.625189 0.629577
H 3.284039 0.360238 1.729419
H 4.451217 -2.013944 0.045092
H 2.946016 -1.866644 0.979053
H 5.171203 -0.527807 -1.481598
H 3.685002 -0.290190 -2.460448
H 4.461972 1.112368 -1.648795
H 1.232008 -0.809879 1.175987
H 0.898375 0.940427 1.222955
H 2.160637 2.482250 -0.334784
H 0.796325 1.971464 -1.348822
H 2.425556 1.937061 -2.026600
H 5.709796 0.841139 2.099243
H 5.515272 -0.851102 1.613869
H 6.124327 0.367138 0.443480
H 2.815338 -3.672200 -0.742976
H 1.583371 -2.442545 -1.105329
H 3.098678 -2.529642 -2.066548
H -1.311271 0.823167 1.466270
H -3.436005 1.292882 2.141621
H -2.740921 -1.260102 -1.321715
H -5.898705 1.039203 1.840245
H -5.216387 -1.507789 -1.612978
H -6.805601 -0.364289 -0.040581


