%chk=000078780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078780

0 1
 O    2.010600      0.7878000      0.6445000    
 O   -3.310500      -1.705300     -0.9956000    
 N   -5.445500     -0.9727000     -0.5620000    
 C    4.121000     -9.2200004E-02 -6.6100001E-02
 C    2.764000     -0.4128000      0.5444000    
 C    4.980400      -1.344100     -0.2182000    
 C   0.6469000      0.6702000      0.5700000    
 C  -6.2300000E-02   1.318300     -0.4353000    
 C   -2.119500      0.4101000      0.4479000    
 C   -1.449700       1.188000     -0.4967000    
 C  -1.4500000E-02 -0.1069000       1.514900    
 C   -1.402000     -0.2374000       1.453600    
 C   -3.602800      0.2702000      0.3826000    
 C    6.317600      -1.026300     -0.8679000    
 C   0.6382000       2.155800      -1.453500    
 C   -4.071900     -0.9027000     -0.4628000    
 H    4.635900      0.6496000      0.5572000    
 H    3.973400      0.3872000      -1.042100    
 H    2.244500      -1.148600     -8.3200000E-02
 H    2.892500     -0.8364000       1.547100    
 H    4.453700      -2.086300     -0.8293000    
 H    5.154700      -1.797600      0.7644000    
 H   -2.012600       1.689600      -1.280400    
 H   0.5307000     -0.6098000       2.308600    
 H   -1.912100     -0.8464000       2.195200    
 H   -4.014200      0.1505000       1.393200    
 H   -4.048300       1.188900     -2.0099999E-02
 H    6.177500     -0.6028000      -1.867500    
 H    6.884900     -0.3086000     -0.2667000    
 H    6.917400      -1.936600     -0.9657000    
 H    1.177500       2.974900     -0.9662000    
 H    1.348600       1.546800      -2.022300    
 H  -6.0800001E-02   2.601700      -2.169100    
 H   -6.056500     -0.2996000     -0.1106000    
 H   -5.893300      -1.709600      -1.096600    


%chk=000078780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078780

0 1
O 1.800772 0.423241 -0.381306
O -5.984442 -0.391392 0.312203
N -4.158922 -0.905136 -1.028671
C 4.115167 -0.279292 -0.459519
C 2.741174 -0.587618 0.138719
C 5.194329 -1.278351 0.019989
C 0.456970 0.343392 0.021334
C -0.394006 1.362116 -0.504922
C -2.300139 0.351844 0.730874
C -1.755870 1.339817 -0.136299
C -0.056091 -0.651757 0.887043
C -1.426116 -0.640251 1.234489
C -3.776186 0.355338 1.085205
C 6.580825 -0.982429 -0.590722
C 0.174650 2.427291 -1.419002
C -4.738197 -0.343752 0.092816
H 4.405796 0.752027 -0.181501
H 4.041134 -0.305811 -1.563707
H 2.398478 -1.601817 -0.156947
H 2.768309 -0.533221 1.247510
H 4.887330 -2.310886 -0.244958
H 5.263408 -1.246245 1.126533
H -2.414957 2.124216 -0.530333
H 0.594059 -1.428860 1.299086
H -1.814384 -1.412206 1.909791
H -3.952026 -0.132785 2.061375
H -4.159810 1.387417 1.189626
H 6.547769 -1.040540 -1.694743
H 6.925334 0.032691 -0.318311
H 7.339242 -1.703760 -0.236156
H 0.973670 2.999445 -0.912466
H 0.640037 1.977859 -2.315429
H -0.610092 3.131472 -1.743591
H -3.153262 -0.850974 -1.187368
H -4.760450 -1.374184 -1.704940


