%chk=000099576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099576

0 1
 O   -5.339800      0.1649000     -5.8300000E-02
 O    3.250700      -2.598500      0.4688000    
 O   0.6103000      -2.679700     -0.3556000    
 N   -1.673400     -9.0599999E-02 -0.2037000    
 C   0.6825000     -0.3415000     -0.8499000    
 C  -0.7414000     -0.3607000      -1.299000    
 C    2.723500      0.8940000     -0.4701000    
 C    1.393000      0.8583000     -0.8872000    
 C   -3.047900     -0.1279000     -0.6770000    
 C    1.302600      -1.505400     -0.3955000    
 C    2.633100      -1.469600      2.1500001E-02
 C    3.343600     -0.2698000     -1.5699999E-02
 C    3.484600       2.175900     -0.5113000    
 C   -4.013300      0.1958000      0.4519000    
 C    3.374400       2.968800      0.7652000    
 C   -6.294300      0.4605000      0.9521000    
 C   -7.681900      0.4122000      0.3490000    
 C    3.166300      -2.873300       1.865800    
 C    2.827400       4.186700      0.8493000    
 H  -0.9783000      -1.309000      -1.797500    
 H  -0.8699000      0.4013000      -2.080800    
 H   0.9101000       1.767600      -1.238100    
 H   -1.475400      0.8282000      0.1929000    
 H   -3.291700      -1.118700      -1.080300    
 H   -3.201900      0.5890000      -1.493700    
 H    4.380500     -0.2481000      0.3115000    
 H    3.151300       2.773600      -1.370100    
 H    4.546400       1.972200     -0.7019000    
 H   -3.803600       1.193200      0.8577000    
 H   -3.914000     -0.5408000       1.258600    
 H    3.782300       2.520700       1.668100    
 H   -6.104600       1.459300       1.360700    
 H   -6.218100     -0.2751000       1.760800    
 H  -0.3433000      -2.505900     -0.3039000    
 H   -8.443300      0.6356000       1.101500    
 H   -7.771900       1.133700     -0.4698000    
 H   -7.883900     -0.5770000     -7.5099997E-02
 H    3.697400      -3.808400       2.063700    
 H    3.639700      -2.072800       2.443100    
 H    2.122500      -2.991700       2.173400    
 H    2.787000       4.706400       1.800300    
 H    2.412200       4.682700     -2.1000000E-02


%chk=000099576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099576

0 1
O -5.405787 -0.111130 0.043236
O 2.675564 -2.521237 0.886852
O -0.102183 -1.756725 0.234805
N -1.696851 0.268794 0.068084
C 0.735831 0.441371 -0.439310
C -0.671009 0.789751 -0.902499
C 3.135054 0.964084 -0.295397
C 1.807471 1.342183 -0.614400
C -3.099296 0.345029 -0.423928
C 0.965837 -0.866493 0.090106
C 2.297244 -1.246698 0.431158
C 3.355340 -0.331017 0.225950
C 4.305588 1.921332 -0.530289
C -4.062426 -0.277549 0.594164
C 4.064054 3.322894 0.000494
C -6.448558 -0.702208 0.898473
C -7.791573 -0.476039 0.206121
C 1.816490 -3.205701 1.874024
C 4.144815 4.460493 -0.735388
H -0.885538 0.286724 -1.867475
H -0.773692 1.881869 -1.069282
H 1.613127 2.345022 -1.015237
H -1.595095 0.751326 0.975321
H -3.164472 -0.216420 -1.372923
H -3.417471 1.389233 -0.631200
H 4.363747 -0.665264 0.494846
H 4.535559 1.984411 -1.613095
H 5.207854 1.499900 -0.042678
H -3.980661 0.236099 1.581269
H -3.823797 -1.353361 0.745376
H 3.805336 3.387047 1.068770
H -6.428323 -0.218783 1.900917
H -6.247104 -1.787845 1.036685
H -0.967398 -1.148527 0.208325
H -8.613411 -0.903143 0.808999
H -7.979287 0.602921 0.070381
H -7.798423 -0.956214 -0.787366
H 2.325880 -4.161892 2.070744
H 1.757908 -2.614025 2.809154
H 0.803988 -3.366568 1.472595
H 3.972599 5.447624 -0.291549
H 4.392571 4.434831 -1.804433


