%chk=000057712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057712

0 1
 O   -2.420600     -0.9852000       1.318000    
 O   -2.411100      -1.545200      -1.026600    
 O    1.601000      -1.308000      0.1987000    
 N    4.749300      0.5552000     -0.1906000    
 C   -2.086300      -1.978600      0.3174000    
 C  -0.5836000      -2.247200      0.3867000    
 C   0.2189000     -0.9840000      0.1369000    
 C   -2.877600      -3.251100      0.6185000    
 C   -2.934800      1.2000000E-02  0.5459000    
 C   -2.929300     -0.3077000     -0.7926000    
 C    3.875500     -0.5828000      5.2600000E-02
 C    2.415700     -0.1654000     -2.7500000E-02
 C    6.155400      0.1458000     -0.1551000    
 C    4.506600       1.614500      0.7918000    
 C   -3.417900       1.221000       1.001800    
 C   -3.406700      0.5638000      -1.749300    
 C   -3.907500       2.122000      5.3399999E-02
 C   -3.901800       1.795500      -1.314300    
 C    6.432800     -0.9535000      -1.166500    
 C    5.364700       2.835200      0.5062000    
 C   -4.442700       3.443600      0.4945000    
 H  -0.2927000      -3.004200     -0.3526000    
 H  -0.3091000      -2.645700       1.371800    
 H  -6.0000003E-04 -0.5712000     -0.8539000    
 H  -6.0000003E-04 -0.2262000      0.8971000    
 H   -3.954600      -3.053900      0.5654000    
 H   -2.666600      -3.621800       1.627000    
 H   -2.657200      -4.038300     -0.1100000    
 H    4.074300      -1.054100       1.024700    
 H    4.003400      -1.367700     -0.7009000    
 H    2.147800      0.5582000      0.7463000    
 H    2.189600      0.2591000      -1.013200    
 H    6.459200     -0.1892000      0.8447000    
 H    6.806600      0.9790000     -0.4383000    
 H    4.675000       1.270100       1.819800    
 H    3.481800       1.988900      0.7291000    
 H   -3.416400       1.456500       2.060600    
 H   -3.400700      0.3078000      -2.802700    
 H   -4.285900       2.500300      -2.047700    
 H    7.515600      -1.070200      -1.291200    
 H    6.016700     -0.7159000      -2.151700    
 H    6.052900      -1.927200     -0.8422000    
 H    5.003800       3.684500       1.097700    
 H    5.315900       3.129100     -0.5480000    
 H    6.411900       2.685600      0.7862000    
 H   -4.231100       4.220500     -0.2481000    
 H   -3.981900       3.765100       1.434700    
 H   -5.525600       3.380300      0.6398000    


%chk=000057712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057712

0 1
O -2.406859 -0.572231 1.348411
O -2.301714 -1.492499 -0.872272
O 1.754272 -1.239537 0.484492
N 5.119946 0.362127 0.125696
C -1.998219 -1.810619 0.576351
C -0.496263 -2.034521 0.737308
C 0.354734 -0.832822 0.313592
C -2.882869 -2.973652 1.018165
C -3.155405 0.220621 0.448087
C -3.096147 -0.321513 -0.855391
C 4.111619 -0.711342 0.319416
C 2.689661 -0.157344 0.151170
C 6.355866 -0.099661 -0.558550
C 5.391675 1.120716 1.376747
C -3.847454 1.399010 0.730026
C -3.732931 0.299918 -1.930337
C -4.512414 2.057184 -0.350214
C -4.445553 1.501644 -1.652692
C 6.150754 -0.347369 -2.065247
C 5.873870 2.560883 1.116888
C -5.281236 3.342653 -0.091217
H -0.206846 -2.912932 0.131842
H -0.285376 -2.277423 1.794700
H 0.156507 -0.568260 -0.746420
H 0.129005 0.049882 0.948397
H -3.945429 -2.723733 0.859559
H -2.724184 -3.184943 2.089341
H -2.640276 -3.877397 0.433543
H 4.194065 -1.198409 1.319533
H 4.265560 -1.505013 -0.432238
H 2.520332 0.711530 0.825598
H 2.537935 0.185949 -0.894340
H 6.771960 -1.021774 -0.077366
H 7.120923 0.688595 -0.435246
H 6.130587 0.584563 2.025762
H 4.448888 1.165139 1.953599
H -3.877858 1.804902 1.745929
H -3.683475 -0.117008 -2.939678
H -4.959234 2.011397 -2.475400
H 7.099584 -0.664730 -2.537329
H 5.800634 0.576689 -2.557340
H 5.402789 -1.138770 -2.255116
H 6.025537 3.096736 2.072749
H 5.125583 3.107411 0.516833
H 6.832059 2.583635 0.566565
H -5.741270 3.728036 -1.017224
H -4.620902 4.134523 0.310509
H -6.090930 3.189059 0.647108


