%chk=000053398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053398

0 1
 O  -3.0999999E-02 -0.3118000      -1.039000    
 O    3.160800       3.074000      0.2478000    
 O   0.4808000       2.388300     -0.6563000    
 O    4.452600      -1.413700      0.2840000    
 O    1.126900      -2.931800       1.520600    
 N   -3.394800     -0.5662000      0.4285000    
 N    1.928500      -2.217700     -0.5772000    
 C   -4.729800     -0.2922000     -9.9799998E-02
 C   -5.781200      -1.038600      0.7288000    
 C   -4.992300       1.217700     -9.4899997E-02
 C   -7.196700     -0.7156000      0.2534000    
 C   -6.408600       1.537800     -0.5699000    
 C   -7.458300      0.7879000      0.2452000    
 C   -2.375600     -0.2714000     -0.5669000    
 C  -0.9911000     -0.5982000     -3.0400001E-02
 C    1.209000      8.9699998E-02 -0.6156000    
 C    2.206100     -0.8600000     -0.3791000    
 C    1.447800       1.454300     -0.4274000    
 C    3.744300      0.8916000      0.2516000    
 C    2.725200       1.805800      5.2000000E-03
 C    3.482100     -0.4756000      5.5799998E-02
 C    4.861600       1.662300      0.6683000    
 C    4.455200       2.976500      0.6485000    
 C    1.426400      -3.137300      0.3489000    
 C   9.6900001E-02   3.205500      0.4469000    
 C    5.288100      -1.753200     -0.8170000    
 C    1.267100      -4.507900     -0.2599000    
 H   -4.809200     -0.6682000      -1.129500    
 H   -5.619100      -2.121700      0.6629000    
 H   -5.689500     -0.7674000       1.789000    
 H   -4.854400       1.621700      0.9169000    
 H   -4.291600       1.749900     -0.7469000    
 H   -7.343000      -1.117100     -0.7569000    
 H   -7.925700      -1.212800      0.9032000    
 H   -6.587200       2.616500     -0.4958000    
 H   -6.508000       1.269200      -1.628900    
 H   -7.456000       1.163600       1.275800    
 H   -8.454900      0.9865000     -0.1648000    
 H   -3.324800      -1.549600      0.6901000    
 H   -2.380900      0.7848000     -0.8569000    
 H   -2.542300     -0.8488000      -1.485400    
 H  -0.7924000     -1.9700000E-02  0.8814000    
 H  -0.9322000      -1.662600      0.2182000    
 H    5.842200       1.304300      0.9482000    
 H    2.034000      -2.533200      -1.539000    
 H    4.943200       3.911900      0.8801000    
 H   8.5299999E-02   2.637500       1.383400    
 H   0.7669000       4.065600      0.5320000    
 H  -0.9145000       3.576400      0.2575000    
 H    4.697500      -2.162700      -1.642500    
 H    5.850500     -0.8782000      -1.157900    
 H    5.998300      -2.515900     -0.4861000    
 H    2.197800      -4.814500     -0.7458000    
 H   0.4591000      -4.488300     -0.9965000    
 H    1.023000      -5.233500      0.5210000    


%chk=000053398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053398

0 1
O -0.015400 0.256849 -0.656894
O 3.737593 2.855102 1.333980
O 0.705511 2.519792 0.819926
O 4.580270 -1.292824 -0.901055
O 0.207359 -2.527232 0.121692
N -3.477292 -0.308052 0.613245
N 1.882226 -1.736571 -1.315611
C -4.826432 -0.551386 0.041614
C -5.790225 -0.951714 1.183516
C -5.366175 0.704855 -0.687322
C -7.230654 -1.182347 0.669578
C -6.802464 0.478797 -1.217577
C -7.764385 0.062326 -0.080162
C -2.365452 -0.208502 -0.359358
C -1.090934 0.202304 0.381798
C 1.297874 0.429447 -0.223076
C 2.264597 -0.556705 -0.612220
C 1.710302 1.619603 0.454072
C 4.073949 0.837066 0.240865
C 3.095359 1.769905 0.683045
C 3.649579 -0.342607 -0.405623
C 5.367801 1.376901 0.625278
C 5.127393 2.569592 1.269459
C 0.878401 -2.631868 -0.945152
C 1.053697 3.952356 0.917413
C 4.961249 -2.321404 0.095924
C 0.635536 -3.752494 -1.955002
H -4.810266 -1.393119 -0.702008
H -5.414079 -1.867364 1.685792
H -5.783325 -0.139877 1.938889
H -5.351346 1.546641 0.033667
H -4.698318 0.983596 -1.524883
H -7.240721 -2.053605 -0.017852
H -7.896704 -1.436201 1.517026
H -7.169390 1.398791 -1.712682
H -6.788874 -0.316452 -1.992101
H -7.865774 0.903381 0.636605
H -8.775145 -0.139760 -0.485629
H -3.261787 -1.017072 1.330517
H -2.606335 0.568816 -1.105961
H -2.171101 -1.157881 -0.912133
H -1.202014 1.191816 0.852717
H -0.800858 -0.560132 1.128186
H 6.340126 0.931290 0.428553
H 2.514542 -2.012709 -2.071457
H 5.767664 3.319877 1.725114
H 1.728285 4.141396 1.768493
H 1.527438 4.302347 -0.017998
H 0.090064 4.461285 1.067871
H 5.446780 -1.852708 0.972700
H 4.072894 -2.891144 0.428443
H 5.672077 -2.987278 -0.417260
H 1.495873 -3.936689 -2.622813
H -0.233816 -3.485654 -2.583595
H 0.386928 -4.678881 -1.413655


