%chk=000104230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104230

1 1
 O  -0.7938000      -2.621200      0.6538000    
 O   -3.972400       1.714900     -0.5754000    
 O   0.6601000       2.128900     -0.4432000    
 O    6.707700      0.4618000      0.1621000    
 N   0.3926000     -0.1375000      0.1018000    
 N   -5.138300     -0.7612000     -2.6100000E-02
 N   -6.221800     -0.8882000     -4.9500000E-02
 C   -1.013700     -0.3044000      7.1500003E-02
 C   -1.569100      -1.542700      0.3481000    
 C   -1.805700      0.7893000     -0.2382000    
 C   -3.192200      0.6400000     -0.2722000    
 C   -2.955400      -1.692000      0.3140000    
 C   -3.767000     -0.6007000      3.8000001E-03
 C    2.584100      0.8771000     -6.5700002E-02
 C    1.139300       1.022700     -0.1463000    
 C  -0.8925000      -3.754200     -0.2064000    
 C    3.378300       1.974700      0.2657000    
 C    3.175500     -0.3604000     -0.3202000    
 C   -3.878100       2.847600      0.2860000    
 C    5.355600      0.5976000      8.8299997E-02
 C    4.764000       1.835000      0.3426000    
 C    4.561300     -0.5002000     -0.2432000    
 C   0.4394000      -4.473200     -0.2295000    
 C   -5.204400       3.577300      0.2881000    
 C    7.246300     -0.8312000     -0.1099000    
 H   -1.426700       1.770900     -0.4752000    
 H   -3.410900      -2.653800      0.5366000    
 H   0.8883000     -0.9811000      0.3771000    
 H   -1.156100      -3.452400      -1.227800    
 H   -1.670400      -4.423800      0.1759000    
 H    2.937400       2.946400      0.4727000    
 H    2.602000      -1.233000     -0.6193000    
 H   -3.090000       3.512400     -8.3800003E-02
 H   -3.632500       2.543100       1.311000    
 H    5.377600       2.693300      0.6022000    
 H    4.955900      -1.486700     -0.4612000    
 H   0.3962000      -5.356700     -0.8726000    
 H    1.229400      -3.808300     -0.5944000    
 H   0.7273000      -4.784700      0.7800000    
 H   -6.005300       2.919100      0.6407000    
 H   -5.473700       3.891000     -0.7259000    
 H   -5.164000       4.460500      0.9317000    
 H    7.046700      -1.141200      -1.141200    
 H    6.903100      -1.572100      0.6202000    
 H    8.333500     -0.7574000     -3.1999999E-03


%chk=000104230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104230

1 1
O -0.605495 -2.604886 -0.158677
O -4.282757 1.614239 0.125093
O 0.548040 2.141608 0.266131
O 6.794477 0.695235 0.089170
N 0.316090 -0.179223 0.039942
N -5.181757 -0.878398 -0.088240
N -6.346868 -0.975661 -0.113416
C -1.058356 -0.275650 0.017579
C -1.592659 -1.631739 -0.096594
C -1.940046 0.834088 0.096663
C -3.329075 0.636415 0.060605
C -2.962058 -1.851534 -0.133212
C -3.840280 -0.714757 -0.055472
C 2.575808 0.821065 0.114953
C 1.108963 1.011082 0.146660
C -1.010564 -4.038833 -0.263537
C 3.378594 1.984295 0.324228
C 3.231080 -0.421929 -0.116991
C -3.853708 3.054791 0.246145
C 5.413361 0.658458 0.081923
C 4.772241 1.909675 0.311229
C 4.633459 -0.512147 -0.136009
C 0.266267 -4.867569 -0.296774
C -5.125320 3.888404 0.283512
C 7.544804 -0.552713 -0.141882
H -1.496861 1.827152 0.188216
H -3.387561 -2.853219 -0.219153
H 0.799687 -1.082509 -0.018912
H -1.605123 -4.161493 -1.189957
H -1.637191 -4.283764 0.616419
H 2.872194 2.938789 0.496239
H 2.672556 -1.347437 -0.306180
H -3.220654 3.291419 -0.629229
H -3.259400 3.151462 1.173692
H 5.395595 2.793182 0.473251
H 5.110323 -1.478021 -0.322414
H 0.005749 -5.938249 -0.370554
H 0.887237 -4.607563 -1.170430
H 0.857839 -4.723247 0.622700
H -5.753821 3.621320 1.149075
H -5.714955 3.759984 -0.639115
H -4.854839 4.955672 0.372330
H 7.324652 -0.963928 -1.144194
H 7.316539 -1.299355 0.640796
H 8.601392 -0.259210 -0.082110


