%chk=000148318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148318

0 1
 O   -1.716400      0.3991000     -0.6280000    
 O   -1.575100      -1.666500       1.147200    
 O  -0.5212000      0.4890000      -2.593300    
 O  -0.2470000      -1.684500       3.027400    
 O    3.781700       2.579500     -0.4602000    
 O    2.958500       3.962400       1.333600    
 O    4.301400      -1.621100      0.4309000    
 O    3.858400      -2.843800      -1.598000    
 N   -4.970900      0.1839000     -0.7188000    
 C   -3.875800     -0.7525000     -0.3215000    
 C   -2.691900     -0.4352000      -1.242700    
 C   -3.335500      0.3065000      -2.404600    
 C   -4.430200       1.110100      -1.720400    
 C   -3.699200     -0.5844000       1.153500    
 C   -5.419500      0.8581000      0.5168000    
 C   -4.566400      0.3195000       1.617400    
 C   -2.719000      -1.377600       1.937800    
 C  -0.6812000      0.7891000      -1.420300    
 C   0.2628000       1.650000     -0.6638000    
 C  -0.3978000      -1.795200       1.820600    
 C    1.600100       1.633600      -1.012900    
 C  -0.2365000       2.439200      0.3675000    
 C   0.7155000      -2.093700      0.8847000    
 C    2.438800       2.449100     -0.2813000    
 C   0.6342000       3.256200       1.092500    
 C    1.968900       3.238700      0.7430000    
 C    1.987000      -1.657400       1.206500    
 C   0.4345000      -2.800900     -0.2800000    
 C    2.988600      -1.957700      0.3063000    
 C    2.735700      -2.655800     -0.8523000    
 C    1.467100      -3.092000      -1.174700    
 C    4.104100       3.540300      0.5660000    
 C    4.846500      -2.186200     -0.7789000    
 H   -4.238500      -1.766000     -0.5357000    
 H   -2.207100      -1.358400      -1.582100    
 H   -2.706800      0.9775000      -2.990500    
 H   -3.790300     -0.4155000      -3.095300    
 H   -5.204400       1.428800      -2.424700    
 H   -3.984000       2.003500      -1.265000    
 H   -5.337700       1.949600      0.4703000    
 H   -6.468600      0.6057000      0.7037000    
 H   -4.661100      0.6139000       2.652500    
 H   -2.457800     -0.8364000       2.854900    
 H   -3.176000      -2.333300       2.217000    
 H    1.986400       1.013400      -1.813600    
 H   -1.292000       2.454000      0.6247000    
 H   0.2678000       3.881600       1.898600    
 H    2.201400      -1.102100       2.112300    
 H  -0.5661000      -3.151700     -0.5160000    
 H    1.272500      -3.643700      -2.087400    
 H    4.837400       3.093200       1.247000    
 H    4.553800       4.421100      9.3400002E-02
 H    5.308600      -1.382700      -1.363800    
 H    5.619800      -2.914500     -0.5087000    


%chk=000148318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148318

0 1
O -1.888908 0.911874 -0.805566
O -1.139431 -1.660410 1.185885
O -0.047433 0.363522 -2.131561
O -0.580023 -3.248538 2.797740
O 3.144347 4.431169 -0.971172
O 2.018279 5.736974 0.702453
O 4.011439 -5.039790 0.894508
O 4.435906 -3.842908 -1.145664
N -4.816384 0.264231 -0.436104
C -3.663425 -0.679780 -0.223946
C -2.624091 -0.288142 -1.307348
C -3.531335 0.151046 -2.474780
C -4.671365 0.931501 -1.761946
C -3.287521 -0.490981 1.235840
C -4.966628 1.132055 0.766779
C -4.007841 0.526160 1.775636
C -2.385513 -1.422721 1.984353
C -0.604154 1.130122 -1.299314
C 0.016428 2.354286 -0.725392
C -0.298355 -2.649505 1.727225
C 1.312114 2.718259 -1.206709
C -0.643103 3.130493 0.264040
C 0.917809 -2.893525 0.909904
C 1.884497 3.861539 -0.660519
C -0.041754 4.292951 0.808221
C 1.225556 4.634324 0.324260
C 1.829367 -3.883640 1.396121
C 1.175523 -2.191617 -0.296554
C 2.966581 -4.117394 0.632252
C 3.220914 -3.415881 -0.570031
C 2.342323 -2.445068 -1.060567
C 3.280931 5.614756 -0.084434
C 4.974877 -4.885370 -0.224943
H -3.954670 -1.733243 -0.429924
H -1.899525 -1.077873 -1.557324
H -2.992220 0.754605 -3.222468
H -3.926672 -0.750621 -2.978468
H -5.611682 0.901546 -2.342386
H -4.378975 1.998291 -1.636445
H -4.700123 2.194398 0.543259
H -6.009826 1.138285 1.145415
H -3.947263 0.866563 2.814314
H -2.104050 -1.021311 2.973708
H -2.861544 -2.410228 2.145721
H 1.807506 2.108856 -1.966190
H -1.627843 2.809225 0.611640
H -0.538937 4.895358 1.572013
H 1.617138 -4.416405 2.326021
H 0.471238 -1.437200 -0.649839
H 2.539640 -1.903536 -1.988250
H 4.119636 5.451026 0.614096
H 3.402811 6.519495 -0.702900
H 5.943747 -4.539800 0.174602
H 5.049489 -5.839621 -0.773661


