%chk=000099552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099552

0 1
 O    1.362800       2.390000      6.8499997E-02
 O   -1.376900       2.382900     -2.3000000E-02
 O    3.922000       2.096600      0.7055000    
 O   -3.934800       2.034000     -0.6324000    
 N  -4.4999998E-03  0.4912000      9.9500000E-02
 C  -2.7000001E-03 -0.9562000      0.1583000    
 C   3.7999999E-02  -1.668200      -1.010700    
 C    1.236000       1.164100      0.1139000    
 C   -1.246700       1.157700      3.0999999E-02
 C  -4.2700000E-02  -1.534400       1.400400    
 C    2.458800      0.2610000      0.1456000    
 C   -2.467600      0.2523000      7.2700001E-02
 C   3.8899999E-02  -3.061000     -0.9331000    
 C   8.1200004E-02  -1.021200      -2.357000    
 C  -4.1600000E-02  -2.927100       1.477800    
 C  -8.9999998E-04  -3.690300      0.3111000    
 C    3.781400       1.001400      0.1633000    
 C   -3.792000      0.9857000     -4.6999999E-03
 C    4.945100      0.3026000     -0.4901000    
 C   -4.953900      0.3392000      0.7033000    
 H  -7.3799998E-02 -0.9436000       2.310400    
 H    2.464200     -0.3702000     -0.7463000    
 H    2.450200     -0.3642000       1.043300    
 H   -2.462400     -0.2894000       1.024000    
 H   -2.462700     -0.4554000     -0.7598000    
 H   6.9700003E-02  -3.671300      -1.831800    
 H   0.1867000      -1.762800      -3.156800    
 H  -0.8433000     -0.4686000      -2.550500    
 H   0.9301000     -0.3377000      -2.447700    
 H  -7.2400004E-02  -3.417100       2.446600    
 H  -3.0000001E-04  -4.774700      0.3716000    
 H    5.847400      0.9115000     -0.3847000    
 H    4.738200      0.1609000      -1.553700    
 H    5.111600     -0.6623000     -4.9000001E-03
 H   -5.858200      0.9338000      0.5468000    
 H   -5.116200     -0.6633000      0.2997000    
 H   -4.747900      0.2870000       1.775300    


%chk=000099552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099552

0 1
O 1.409377 2.174818 0.033154
O -1.299994 2.090249 -0.395516
O 3.882253 -0.833769 1.119095
O -3.993713 -0.588382 -0.919193
N 0.092677 0.210304 -0.054772
C 0.127630 -1.245762 0.054385
C -0.366834 -2.054617 -1.009805
C 1.324053 0.946916 -0.208128
C -1.162609 0.917774 0.024453
C 0.684284 -1.821308 1.221061
C 2.551723 0.146046 -0.679107
C -2.329961 0.161130 0.688855
C -0.295273 -3.461964 -0.843490
C -0.972329 -1.456603 -2.263687
C 0.750392 -3.222599 1.356793
C 0.251632 -4.045185 0.320620
C 3.675408 0.169102 0.388866
C -3.633308 0.319511 -0.123374
C 4.473821 1.452466 0.494099
C -4.403337 1.608053 0.062371
H 1.075381 -1.169018 2.008582
H 2.912883 0.670609 -1.583080
H 2.308641 -0.896867 -0.923225
H -2.456140 0.625398 1.686078
H -2.110442 -0.907789 0.819837
H -0.672885 -4.104754 -1.647190
H -0.905093 -2.164149 -3.107458
H -2.046353 -1.232730 -2.107314
H -0.476070 -0.515542 -2.558571
H 1.195058 -3.663116 2.254520
H 0.297626 -5.135617 0.414184
H 5.135982 1.427648 1.372806
H 3.784011 2.315604 0.542382
H 5.085406 1.586502 -0.419638
H -5.281146 1.638667 -0.600432
H -4.727198 1.715660 1.115486
H -3.724753 2.456216 -0.152244


