%chk=000139436.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139436

0 1
 O    2.323400      4.5000002E-02  0.2204000    
 O    4.942400      0.9216000     -0.2285000    
 N   -1.326300      0.3191000     -0.2084000    
 N   -4.120500     -0.3422000      0.1852000    
 C   -1.733400      -1.004400      0.2808000    
 C   -2.300400       1.341200      0.1952000    
 C   -3.139700      -1.355100     -0.2115000    
 C   -3.703500      0.9767000     -0.2964000    
 C   1.2400000E-02  0.6602000      0.2687000    
 C    1.037600     -0.3341000     -0.2528000    
 C    3.330600     -0.8484000     -0.2342000    
 C    4.677500     -0.3795000      0.2815000    
 H   -1.702200      -1.046900       1.377700    
 H   -1.085600      -1.797300     -0.1035000    
 H   -2.023700       2.310200     -0.2374000    
 H   -2.311900       1.460600       1.287100    
 H   -3.143100      -1.470900      -1.302900    
 H   -3.439900      -2.319600      0.2129000    
 H   -4.416800       1.725500      6.5200001E-02
 H   -3.740400       1.003100      -1.393000    
 H   5.6800000E-02  0.7019000       1.365300    
 H   0.2958000       1.660700     -8.3300002E-02
 H   -5.031000     -0.5767000     -0.2087000    
 H    1.037900     -0.3435000      -1.349600    
 H   0.8528000      -1.347500      0.1132000    
 H    3.125800      -1.859700      0.1340000    
 H    3.333500     -0.8562000      -1.330400    
 H    5.481800      -1.052900     -2.8200001E-02
 H    4.672500     -0.3078000       1.373300    
 H    4.966900      0.8569000      -1.198400    


%chk=000139436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139436

0 1
O 2.362261 -0.037104 0.226931
O 5.162355 1.055081 -0.053978
N -1.362203 0.172081 -0.078011
N -4.202815 -0.217948 0.112341
C -1.932827 -1.064976 0.519480
C -2.285061 1.320383 0.128353
C -3.306864 -1.375032 -0.101806
C -3.659624 1.016825 -0.495103
C 0.012631 0.457420 0.400073
C 1.054693 -0.395588 -0.336563
C 3.459206 -0.772306 -0.394440
C 4.781475 -0.330387 0.235574
H -2.056528 -0.956633 1.626717
H -1.246557 -1.910636 0.331711
H -1.848600 2.214647 -0.354102
H -2.429326 1.542432 1.215473
H -3.153398 -1.609617 -1.184376
H -3.740740 -2.265357 0.389754
H -4.349679 1.855939 -0.290086
H -3.526979 0.931559 -1.602038
H 0.126542 0.299285 1.499884
H 0.244904 1.519500 0.201874
H -5.173043 -0.407149 -0.168490
H 1.019023 -0.176310 -1.425382
H 0.865743 -1.483439 -0.195319
H 3.329634 -1.868655 -0.234981
H 3.470707 -0.594643 -1.497704
H 5.577407 -1.034106 -0.095701
H 4.700195 -0.377237 1.333910
H 5.036769 1.231972 -1.020695


