%chk=000065841.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065841

0 1
 O  -0.8986000      -1.289800      -1.561200    
 O   -3.982900     -0.5199000      -1.422700    
 O    1.718200      -1.117500       1.204300    
 O    5.914800      -2.654400      0.7583000    
 N   -2.077600     -0.7098000      0.3440000    
 N    1.181400      2.3700001E-02 -0.7376000    
 N    4.504000     -0.8903000      0.1044000    
 N   -4.960700      -2.535700     -0.8988000    
 N  -0.5993000       4.095500      3.4899998E-02
 N    1.530000       4.658500      0.3199000    
 C   -3.002900      -1.835000      0.3163000    
 C   -3.638600      -1.847800       1.701700    
 C   -2.289200      0.1172000       1.529300    
 C   -3.597000     -0.3815000       2.125000    
 C  -7.6899998E-02  0.5500000     -0.2930000    
 C   -1.045200     -0.5719000     -0.5706000    
 C    3.304300      -1.211800     -0.6508000    
 C   -4.011300      -1.551500     -0.7562000    
 C  -0.5019000       1.810100      -1.036600    
 C    3.727200      -2.690500     -0.5601000    
 C    2.001000     -0.7821000      4.9500000E-02
 C    4.942300      -2.170800      0.2267000    
 C   0.1327000       3.048200     -0.4494000    
 C    1.443700       3.419000     -0.2631000    
 C   0.2825000       5.038200      0.4856000    
 H   -2.473800      -2.764200      7.9899997E-02
 H   -4.652900      -2.254700       1.740600    
 H   -3.013300      -2.434800       2.385900    
 H   -1.459600     -6.1900001E-02   2.222000    
 H   -2.322200       1.178500       1.269500    
 H   -3.643500     -0.2486000       3.209300    
 H   -4.441500      0.1572000       1.678800    
 H   1.2400000E-02  0.7356000      0.7809000    
 H    3.389400     -0.8232000      -1.674100    
 H  -0.2361000       1.750000      -2.099900    
 H   -1.593100       1.924500     -0.9992000    
 H    1.468200      0.2201000      -1.692300    
 H    3.982700      -3.163500      -1.511800    
 H    3.074500      -3.345800      2.2600001E-02
 H    4.908200     -2.6900001E-02  0.4405000    
 H   -5.700200      -2.450800      -1.588200    
 H   -4.953600      -3.384000     -0.3416000    
 H   -1.608100       4.163700      5.8100000E-02
 H    2.332300       2.859900     -0.5188000    
 H  -4.6900000E-02   5.971000      0.9206000    


%chk=000065841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065841

0 1
O -1.023370 -2.046336 -1.105021
O -5.529022 -1.319105 -0.869772
O 2.653935 0.804803 0.396848
O 6.851754 -0.552245 -0.367304
N -2.343373 -0.931541 0.452660
N 1.148389 -0.688739 -0.563246
N 4.679429 -0.396094 -1.437522
N -3.670372 -2.022518 -2.089778
N 0.843858 2.881817 0.723354
N -0.634439 4.556123 1.101170
C -3.462683 -1.929475 0.365919
C -4.274075 -1.666776 1.649914
C -2.594168 0.092787 1.519069
C -4.069000 -0.152354 1.906818
C -0.074083 -0.041956 -0.065890
C -1.195377 -1.084400 -0.261043
C 3.546291 -1.131935 -0.818374
C -4.327948 -1.716868 -0.921161
C -0.419238 1.307045 -0.834049
C 4.567531 -1.621516 0.285829
C 2.412621 -0.247759 -0.284303
C 5.638219 -0.790089 -0.491379
C -0.314292 2.547185 0.008272
C -1.212801 3.595463 0.256267
C 0.606953 4.088288 1.362825
H -3.020170 -2.941682 0.319201
H -5.335031 -1.916081 1.497066
H -3.870787 -2.268233 2.484532
H -1.917725 -0.095045 2.376592
H -2.407593 1.113669 1.147921
H -4.266667 0.139205 2.950848
H -4.741126 0.424543 1.249080
H 0.054989 0.192130 1.007208
H 3.153403 -1.945810 -1.455276
H 0.259250 1.354312 -1.707437
H -1.444654 1.253267 -1.240889
H 0.967367 -1.535353 -1.124627
H 4.751036 -2.706183 0.312582
H 4.366161 -1.229396 1.294229
H 4.712545 0.260152 -2.220499
H -4.167256 -1.913220 -2.974184
H -2.676771 -2.295580 -2.061180
H 1.682912 2.271077 0.743175
H -2.222904 3.724232 -0.130141
H 1.341181 4.582391 1.994296


