%chk=000127864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127864

0 1
 O   -4.337200     -0.7699000      0.3737000    
 O    3.439300      -2.454000     -0.6409000    
 O   -2.716900     -0.2584000       1.913700    
 O   0.5650000      -1.071600      -1.406900    
 N  -0.9863000      -1.745200      0.1877000    
 C    2.577700       1.732500      0.1670000    
 C    2.142200       2.621500      -1.000500    
 C    3.728800      0.8080000     -0.2399000    
 C   0.9867000       3.564300     -0.6496000    
 C    4.183900     -0.1281000      0.8868000    
 C   -2.110100      -1.019400     -0.3202000    
 C  -0.3050000       2.891600     -0.1754000    
 C    3.124100      -1.126200       1.350800    
 C   -3.006000      -1.851900      -1.206400    
 C   -4.352600      -1.209900     -0.9893000    
 C   -1.438500       3.878800      0.1023000    
 C    2.684300      -2.086500      0.2587000    
 C   -3.041300     -0.6482000      0.8028000    
 C    1.259400      -2.587300      0.3295000    
 C   0.2674000      -1.711300     -0.4015000    
 C   -2.664900       3.171200      0.6576000    
 H    2.882700       2.355100       1.016100    
 H    1.727300       1.127100      0.4918000    
 H    1.840600       1.990900      -1.846100    
 H    2.994600       3.222000      -1.340400    
 H    3.440700      0.2231000      -1.120800    
 H    4.586200       1.421800     -0.5432000    
 H    1.326600       4.263300      0.1251000    
 H   0.7630000       4.171800      -1.535500    
 H    5.070500     -0.6752000      0.5429000    
 H    4.502800      0.4734000       1.746700    
 H   -1.787800     -0.1041000     -0.8281000    
 H  -0.6309000       2.167600     -0.9319000    
 H  -0.1076000       2.326800      0.7427000    
 H    3.525200      -1.734100       2.169800    
 H    2.249000     -0.5988000       1.742100    
 H   -3.032800      -2.893900     -0.8621000    
 H   -2.698400      -1.857600      -2.256000    
 H   -4.507700     -0.3384000      -1.634000    
 H   -5.173700      -1.916700      -1.138900    
 H   -1.707200       4.404500     -0.8210000    
 H   -1.104500       4.635200      0.8219000    
 H   -1.129700      -2.331300       1.005400    
 H    1.222000      -3.587500     -0.1173000    
 H   0.9868000      -2.702100       1.384400    
 H   -3.039900       2.424500     -4.9300000E-02
 H   -3.465900       3.893100      0.8451000    
 H   -2.434200       2.668400       1.602000    


%chk=000127864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127864

0 1
O -3.965354 -0.699934 0.931435
O 3.908622 -2.688306 -0.457522
O -2.406242 -1.270856 2.564151
O 0.551788 -1.320532 -1.447585
N -0.648737 -1.996587 0.415241
C 2.333846 1.657474 0.187142
C 1.942732 2.544913 -1.017257
C 3.546201 0.750471 -0.128266
C 0.817249 3.567308 -0.725885
C 3.978422 -0.178489 1.032887
C -1.715963 -1.030551 0.174416
C -0.565842 2.937975 -0.435579
C 2.966878 -1.312897 1.330253
C -2.661661 -1.299216 -1.022353
C -3.949017 -0.573358 -0.572569
C -1.675352 3.993789 -0.223577
C 2.901397 -2.363964 0.217797
C -2.679403 -1.014587 1.378738
C 1.542652 -3.060966 -0.017887
C 0.455044 -2.058058 -0.419268
C -3.071934 3.374652 -0.000476
H 2.571160 2.302708 1.059859
H 1.465399 1.034593 0.479718
H 1.639103 1.890629 -1.860226
H 2.845222 3.094824 -1.356188
H 3.321034 0.139274 -1.024961
H 4.406433 1.394962 -0.401303
H 1.113625 4.205977 0.133002
H 0.714482 4.247125 -1.597119
H 4.949782 -0.645454 0.784994
H 4.125297 0.419698 1.954058
H -1.277980 -0.016963 0.055757
H -0.843188 2.273309 -1.282240
H -0.506023 2.297053 0.468849
H 3.278526 -1.852407 2.251200
H 1.956842 -0.913605 1.537774
H -2.834461 -2.385111 -1.122493
H -2.255108 -0.914496 -1.969194
H -3.939025 0.504583 -0.807865
H -4.882927 -1.032078 -0.927700
H -1.706138 4.668802 -1.103073
H -1.408416 4.628764 0.645449
H -0.677749 -2.512629 1.299910
H 1.678909 -3.788098 -0.836079
H 1.258603 -3.609965 0.901536
H -3.392451 2.799937 -0.891890
H -3.836719 4.150395 0.186861
H -3.071855 2.688793 0.868930


