%chk=000131533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131533

0 1
 O    3.573000      0.4484000      0.2121000    
 O   -7.224700      0.2212000      -1.137400    
 O    5.744800      0.8196000      0.4249000    
 O    5.048200     -0.9882000     -0.8240000    
 N    2.591500     -0.2823000      -2.922200    
 C   0.2241000      -1.017600      5.2600000E-02
 C    1.119900      0.2200000      0.2781000    
 C   -1.189700     -0.8476000      0.6228000    
 C   -1.867600      0.3843000     -5.4800000E-02
 C   -3.349000      0.6156000      0.4368000    
 C   0.4723000       1.414000     -0.4465000    
 C    2.474800     -0.3025000     -0.2884000    
 C  -0.9746000       1.652800      2.3399999E-02
 C    1.081200      -2.175800      0.5588000    
 C   -2.037500      -2.105900      0.3946000    
 C    2.531700      -1.761200      0.2367000    
 C   -4.126900     -0.7045000      0.3604000    
 C    1.298300      0.5937000       1.779600    
 C   -3.449200      -1.925000      0.9369000    
 C   -4.011300       1.677200     -0.4893000    
 C   -3.401300       1.122100       1.896100    
 C   -5.526800       1.726500     -0.3743000    
 C    2.540200     -0.2912000      -1.763100    
 C   -5.360200     -0.8208000     -0.1597000    
 C   -6.115900      0.3642000     -0.6260000    
 C    4.815300     -5.7999999E-03 -0.1325000    
 C    7.110100      0.4811000      0.1597000    
 C    8.009700       1.487800      0.8446000    
 H   0.1034000      -1.175000      -1.031200    
 H   -1.124500     -0.6859000       1.704200    
 H   -1.932100      0.1371000      -1.127300    
 H   0.4402000       1.244700      -1.529100    
 H    1.064700       2.324000     -0.2930000    
 H  -0.9601000       2.047600       1.043800    
 H   -1.397200       2.445500     -0.6040000    
 H   0.8206000      -3.118400      6.6299997E-02
 H   0.9595000      -2.322900       1.637900    
 H   -1.577900      -2.967300      0.8931000    
 H   -2.080400      -2.344000     -0.6761000    
 H    3.140600      -1.848600       1.145000    
 H    2.954900      -2.458000     -0.4970000    
 H    1.794700     -0.1962000       2.352100    
 H    1.910600       1.497700       1.880500    
 H   0.3513000      0.7976000       2.285400    
 H   -3.413300      -1.829200       2.029100    
 H   -4.023900      -2.835800      0.7281000    
 H   -3.758200       1.457800      -1.536100    
 H   -3.615400       2.677700     -0.2778000    
 H   -2.828700      0.4852000       2.577300    
 H   -3.003800       2.138600       1.984900    
 H   -4.429300       1.148500       2.276300    
 H   -5.921200       2.420100      -1.125300    
 H   -5.849800       2.073200      0.6123000    
 H   -5.874200      -1.775000     -0.2077000    
 H    7.318400     -0.5236000      0.5444000    
 H    7.287800      0.5008000     -0.9213000    
 H    9.063200       1.258500      0.6623000    
 H    7.800300       2.500100      0.4833000    
 H    7.830500       1.492400       1.924800    


%chk=000131533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131533

0 1
O 3.595978 0.394055 0.221534
O -7.307554 0.441054 -1.222288
O 5.749692 0.924789 0.389854
O 5.190012 -1.054110 -0.745414
N 2.430676 -0.419216 -2.937691
C 0.200039 -1.118740 0.098453
C 1.128609 0.114124 0.331238
C -1.224565 -0.913963 0.652195
C -1.852019 0.347636 -0.026409
C -3.340950 0.638576 0.436261
C 0.521816 1.337876 -0.391773
C 2.469391 -0.464343 -0.262948
C -0.931003 1.596938 0.093676
C 1.036500 -2.327795 0.596402
C -2.107620 -2.154167 0.391528
C 2.519308 -1.942027 0.274939
C -4.166883 -0.655477 0.306976
C 1.362086 0.429253 1.833647
C -3.558573 -1.923949 0.875683
C -3.940286 1.744870 -0.488552
C -3.403172 1.105266 1.926525
C -5.477010 1.859114 -0.418308
C 2.469902 -0.436899 -1.745740
C -5.420129 -0.682215 -0.251752
C -6.155587 0.519124 -0.694340
C 4.884038 -0.020190 -0.113884
C 7.201841 0.659225 0.112054
C 7.975820 1.813143 0.736183
H 0.091171 -1.228017 -1.004805
H -1.164421 -0.755562 1.749949
H -1.919602 0.098970 -1.111322
H 0.508962 1.154986 -1.484492
H 1.139033 2.240327 -0.219626
H -0.910658 1.952080 1.141331
H -1.348320 2.425523 -0.507260
H 0.746075 -3.265299 0.092800
H 0.895639 -2.480846 1.682845
H -1.686607 -3.040771 0.902917
H -2.111086 -2.376798 -0.695512
H 3.151130 -1.958173 1.180664
H 2.989514 -2.612661 -0.459036
H 1.785994 -0.427172 2.385411
H 2.064865 1.272118 1.936640
H 0.416621 0.707309 2.327730
H -3.545573 -1.847925 1.984401
H -4.196151 -2.791899 0.627627
H -3.651854 1.520475 -1.535658
H -3.493471 2.723622 -0.233938
H -2.931574 0.377686 2.610364
H -2.891181 2.074883 2.055813
H -4.451007 1.232802 2.252072
H -5.860058 2.604974 -1.137090
H -5.798225 2.197861 0.588261
H -5.963549 -1.631426 -0.349465
H 7.464101 -0.319197 0.553210
H 7.335412 0.597737 -0.982723
H 9.057569 1.672027 0.559269
H 7.673500 2.776331 0.291818
H 7.804495 1.861383 1.824857


