%chk=000054938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054938

0 1
 O  -0.2931000     -0.5448000      -2.271600    
 O   0.9382000      -2.706100       2.491400    
 O    2.096200      -2.737000      0.5284000    
 O   -2.419600       1.747300      0.4883000    
 O   -4.050300      0.2349000       1.101500    
 N   0.8219000     -0.4324000     -0.2255000    
 C   0.9436000     -0.7250000       1.223100    
 C    2.019600      0.2174000       1.784300    
 C   -1.341000      -1.571800     -0.4152000    
 C    1.936600      0.3536000     -0.6026000    
 C    2.672700      0.7115000      0.5306000    
 C   -2.672400      -1.312500      -1.129900    
 C  -0.2182000     -0.8023000      -1.069200    
 C   -3.095000      0.1678000      -1.130200    
 C  -0.9642000      -3.046700     -0.4688000    
 C    1.402300      -2.150500       1.345500    
 C    2.334500      0.7728000      -1.863300    
 C    3.816100       1.489100      0.4333000    
 C   -4.416400      0.3590000      -1.874300    
 C    3.491900       1.550700      -1.971300    
 C    4.228300       1.905300     -0.8321000    
 C   -3.266000      0.6968000      0.2824000    
 C   -2.478600       2.340300       1.789100    
 C   -1.487300       3.482500       1.856000    
 H  -7.7999998E-03 -0.5812000       1.740500    
 H   -1.482300      -1.280200      0.6257000    
 H    1.556800       1.061700       2.307100    
 H    2.731100     -0.2826000       2.448600    
 H   -2.618700      -1.665900      -2.168500    
 H   -3.453500      -1.911200     -0.6415000    
 H   -2.343400      0.7758000      -1.646100    
 H   -1.745500      -3.646500     -0.9501000    
 H  -0.8604000      -3.452400      0.5426000    
 H  -3.3599999E-02  -3.243100      -1.011200    
 H    1.794900      0.5118000      -2.765300    
 H    4.375600       1.776400       1.317100    
 H   -4.723800       1.410400      -1.858000    
 H   -4.321400      4.9800001E-02  -2.920400    
 H   -5.222200     -0.2268000      -1.418000    
 H    3.825200       1.885300      -2.950200    
 H    5.122100       2.514100     -0.9370000    
 H    1.224800      -3.639200       2.588100    
 H   -2.226400       1.587500       2.544300    
 H   -3.490900       2.716900       1.973700    
 H   -1.714500       4.235200       1.094000    
 H  -0.4725000       3.123000       1.654700    
 H   -1.504800       3.958800       2.840100    


%chk=000054938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054938

0 1
O 0.220909 -1.349079 -2.478173
O 0.779866 -0.684549 3.175170
O 1.363801 -2.225845 1.535997
O -2.445468 1.156858 1.177435
O -4.552928 0.311087 0.665498
N 0.881985 -0.285821 -0.520094
C 0.706228 0.104557 0.906193
C 1.717990 1.281292 1.125558
C -1.261102 -1.646517 -0.569167
C 2.121948 0.249380 -1.010239
C 2.669110 1.139907 -0.050999
C -2.516717 -1.125347 -1.322934
C -0.000254 -1.083739 -1.255653
C -2.823273 0.389207 -1.104167
C -1.192187 -3.195474 -0.623086
C 1.000728 -1.074876 1.842049
C 2.777123 -0.005201 -2.234391
C 3.895693 1.778659 -0.290004
C -3.840572 0.900767 -2.152709
C 4.014722 0.644701 -2.463318
C 4.576444 1.523645 -1.507773
C -3.392000 0.598026 0.296162
C -2.936122 1.420163 2.572667
C -1.780228 2.037741 3.353416
H -0.325235 0.443747 1.101885
H -1.319492 -1.335356 0.489362
H 1.179020 2.246668 1.085016
H 2.208698 1.217197 2.110197
H -2.355720 -1.297525 -2.403560
H -3.401516 -1.717035 -1.018756
H -1.883077 0.964998 -1.188058
H -2.102119 -3.634273 -0.174736
H -0.311942 -3.569813 -0.072433
H -1.115558 -3.530914 -1.671846
H 2.333048 -0.678329 -2.967957
H 4.319856 2.465935 0.450784
H -4.052215 1.977141 -2.022286
H -3.437066 0.748216 -3.168923
H -4.794495 0.352562 -2.063215
H 4.545395 0.456808 -3.403381
H 5.536996 2.009752 -1.709488
H 0.968330 -1.453499 3.778696
H -3.278578 0.462811 3.004806
H -3.808170 2.094182 2.499969
H -1.434031 2.970110 2.874062
H -0.929622 1.339311 3.436474
H -2.119599 2.285265 4.376047


