%chk=000003238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003238

0 1
 O  -0.9001000       1.702100       2.079000    
 O    1.723200       1.316200       1.912600    
 O    2.914300       1.822200      -1.350400    
 O    4.924600      0.8446000      -1.011400    
 N    1.556700     -4.6999999E-03  1.1100000E-02
 N  -0.2189000       2.897600     -0.4599000    
 C    3.228100      -1.671300     -0.7224000    
 C    2.543600      -2.875500     -3.6699999E-02
 C    2.962900     -0.2740000     -0.1422000    
 C  -0.9145000       1.607800     -0.3505000    
 C  -0.4702000      0.9337000      0.9650000    
 C   -2.444800       1.813000     -0.4216000    
 C    1.046800      0.7779000       1.038600    
 C    2.980600      -2.935500       1.431900    
 C    1.018700      -2.843800     -0.1115000    
 C   -3.228200      0.5221000     -0.3708000    
 C    3.705100      0.8265000     -0.8840000    
 C   -3.533400     -0.1327000      -1.552900    
 C   -3.625700      1.7899999E-02  0.8568000    
 C   -4.256300      -1.324700      -1.506100    
 C   -4.348700      -1.174100      0.9034000    
 C   -4.663900      -1.845300     -0.2781000    
 H    4.312500      -1.846700     -0.7333000    
 H    2.925800      -1.669800      -1.779100    
 H    2.892600      -3.783800     -0.5438000    
 H    3.392800     -0.2394000      0.8676000    
 H  -0.6146000      0.9953000      -1.208700    
 H  -0.8973000     -7.0699997E-02   1.053200    
 H   -2.784800       2.476000      0.3858000    
 H   -2.700500       2.343600      -1.349500    
 H   0.9351000     -0.3202000     -0.7259000    
 H    4.072500      -2.935700       1.516000    
 H    2.590600      -2.096300       2.016500    
 H    2.613500      -3.856800       1.897700    
 H   0.5619000      -2.183100      0.6292000    
 H   0.6717000      -2.568200      -1.112300    
 H   0.6250000      -3.845500      9.8999999E-02
 H   0.7832000       2.745100     -0.5648000    
 H  -0.5205000       3.375000      -1.308600    
 H  -0.7083000       1.186800       2.881200    
 H   -3.217800      0.2636000      -2.513700    
 H   -3.396900      0.5351000       1.783400    
 H   -4.501300      -1.847800      -2.425900    
 H   -4.668100      -1.578500       1.859400    
 H    3.433000       2.523300      -1.799400    
 H   -5.227100      -2.773300     -0.2417000    


%chk=000003238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003238

0 1
O -1.096446 1.068389 2.173638
O 1.555668 0.787716 1.916959
O 2.651348 1.749288 -1.525136
O 4.701246 0.676164 -1.630586
N 1.444259 -0.228081 -0.173269
N -0.200718 2.774289 -0.223343
C 3.337379 -1.790773 -0.785056
C 3.133004 -2.956700 0.225496
C 2.893233 -0.380262 -0.307882
C -1.035300 1.571673 -0.282241
C -0.653198 0.586449 0.880370
C -2.534316 1.969948 -0.174971
C 0.872422 0.380519 0.924254
C 3.772678 -2.657899 1.603169
C 1.658683 -3.404401 0.383366
C -3.490139 0.799189 -0.343894
C 3.525169 0.693147 -1.212108
C -3.956160 0.419898 -1.629891
C -3.921838 0.049397 0.782676
C -4.830006 -0.679761 -1.790919
C -4.796454 -1.049455 0.625101
C -5.253270 -1.419118 -0.661865
H 4.414017 -1.712401 -1.025460
H 2.818515 -2.032092 -1.736389
H 3.684358 -3.813658 -0.217454
H 3.310740 -0.185005 0.700712
H -0.910709 0.997341 -1.238676
H -1.163692 -0.379506 0.699044
H -2.668334 2.445201 0.812650
H -2.732364 2.731753 -0.955938
H 0.847607 -0.511920 -0.952886
H 4.821950 -2.322164 1.500034
H 3.212947 -1.877293 2.151991
H 3.770522 -3.564864 2.235069
H 1.053495 -2.638384 0.898578
H 1.191311 -3.612028 -0.598307
H 1.602878 -4.331929 0.982915
H 0.773261 2.651291 -0.516013
H -0.637313 3.632474 -0.563230
H -0.299876 1.485510 2.606594
H -3.641576 0.998268 -2.508477
H -3.558568 0.332729 1.777770
H -5.185953 -0.954508 -2.790717
H -5.123180 -1.614645 1.505588
H 3.150488 2.413018 -2.076204
H -5.934868 -2.268803 -0.782861


