%chk=000054532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054532

0 1
 O    1.327600      -1.345100     -0.2497000    
 O   -5.263300       1.378600      0.1593000    
 O  -0.1757000      0.1511000      0.6058000    
 N    4.828800     -0.2083000     -3.4600001E-02
 N  -0.8488000      -1.891300     -0.3192000    
 C    6.051400     -0.9987000      0.1455000    
 C    4.945800      0.8657000      -1.022200    
 C    7.378000     -0.2357000      0.2096000    
 C    5.386500       2.169500     -0.3506000    
 C    7.318300       1.085900      0.9684000    
 C    6.848300       2.235800      8.0899999E-02
 C    3.704600      -1.094700     -0.3416000    
 C    2.389500     -0.4601000      8.1900001E-02
 C   5.8300000E-02 -0.9238000      6.6799998E-02
 C   -2.255600      -1.869300     -0.1831000    
 C   -4.271600     -0.7498000      0.5373000    
 C   -2.883300     -0.7703000      0.4033000    
 C   -4.942800      0.4247000       1.164600    
 C   -3.016100      -2.947400     -0.6357000    
 C   -5.032000      -1.827900      8.4700003E-02
 C   -5.906600       2.519300      0.7102000    
 C   -4.404500      -2.926800     -0.5019000    
 C   -6.240000       3.487000     -0.4149000    
 C   -4.997000       3.931600      -1.164500    
 H    6.145300      -1.746500     -0.6541000    
 H    5.948000      -1.559900       1.083500    
 H    3.980200       1.079100      -1.495800    
 H    5.616000      0.5943000      -1.847600    
 H    8.111400     -0.8880000      0.7009000    
 H    7.759100     -6.6900000E-02 -0.8054000    
 H    5.205100       2.995700      -1.050000    
 H    4.744500       2.367400      0.5180000    
 H    6.694100       1.001200       1.865300    
 H    8.331900       1.327100       1.312400    
 H    7.483900       2.290500     -0.8120000    
 H    7.002500       3.178300      0.6210000    
 H    3.792500      -2.040600      0.2111000    
 H    3.683500      -1.378900      -1.402200    
 H    2.389600     -0.2867000       1.165300    
 H    2.217600      0.4950000     -0.4254000    
 H  -0.4600000      -2.723700     -0.7556000    
 H   -2.348200      9.5100001E-02  0.7694000    
 H   -4.287100      0.8809000       1.917100    
 H   -5.857100      0.1059000       1.680800    
 H   -2.539600      -3.809900      -1.094700    
 H   -6.114500      -1.822900      0.1814000    
 H   -5.246700       3.001400       1.441000    
 H   -6.830200       2.215400       1.215900    
 H   -6.756200       4.362000     -5.2000000E-03
 H   -6.919000       3.002900      -1.126600    
 H   -4.996600      -3.766000     -0.8549000    
 H   -5.264300       4.658000      -1.938800    
 H   -4.499700       3.089600      -1.656100    
 H   -4.279600       4.407600     -0.4884000    


%chk=000054532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054532

0 1
O 1.700756 -1.274634 -0.165772
O -5.894193 1.630625 0.245160
O 0.398405 0.607587 0.408895
N 5.377781 -0.575706 -0.156596
N -0.539803 -1.432162 -0.362961
C 6.520886 -1.509034 -0.030549
C 5.627604 0.684708 -0.900533
C 7.867364 -0.820792 0.300240
C 6.051585 1.844740 0.032515
C 7.779159 0.352110 1.310985
C 7.470931 1.712243 0.632529
C 4.103765 -1.250176 -0.474797
C 2.933932 -0.535739 0.216852
C 0.486387 -0.577939 0.001462
C -1.938924 -1.170391 -0.367983
C -3.891368 0.262732 -0.000562
C -2.488923 0.072888 0.028728
C -4.447902 1.606174 0.442392
C -2.795567 -2.220819 -0.794792
C -4.745725 -0.780385 -0.425035
C -6.497485 2.893947 0.690730
C -4.188528 -2.018274 -0.820540
C -7.997239 2.837603 0.379131
C -8.294639 2.766994 -1.133655
H 6.665296 -2.123560 -0.957459
H 6.270853 -2.218282 0.784073
H 4.690134 0.974011 -1.413825
H 6.386429 0.542500 -1.705362
H 8.543535 -1.607948 0.688284
H 8.340472 -0.447196 -0.629808
H 5.989407 2.800940 -0.528301
H 5.306294 1.896033 0.849981
H 7.012798 0.130632 2.079284
H 8.749696 0.442568 1.838366
H 8.222680 1.874710 -0.169028
H 7.618837 2.529443 1.367079
H 4.149529 -2.289838 -0.101565
H 3.898749 -1.310362 -1.570798
H 3.048331 -0.567993 1.314729
H 2.833048 0.518300 -0.097137
H -0.237663 -2.360521 -0.665762
H -1.817588 0.873193 0.353153
H -3.969016 2.427396 -0.138438
H -4.207525 1.780163 1.517006
H -2.370924 -3.184592 -1.103689
H -5.824464 -0.609337 -0.441084
H -6.018233 3.747936 0.158783
H -6.324730 3.024436 1.782974
H -8.475542 3.734434 0.821200
H -8.427296 1.956183 0.892105
H -4.844539 -2.831122 -1.151393
H -9.380538 2.690287 -1.323813
H -7.798611 1.888835 -1.581262
H -7.921475 3.669848 -1.653538


