%chk=000104150.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104150

0 1
 O   -3.503600     -0.2870000      0.4684000    
 O   0.8398000       2.896800     -0.6277000    
 O   -2.521900     -0.7473000      -1.567800    
 N    1.178300      0.6869000      1.3100000E-02
 C    2.003100     -0.2930000      0.7319000    
 C    3.083700     -0.9049000     -0.1534000    
 C   7.7000000E-03  0.1665000     -0.6415000    
 C    3.928000      -1.946700      0.5842000    
 C   -1.216000      0.1812000      0.2657000    
 C    1.512400       2.050600     -3.2499999E-02
 C    4.956200      -2.582300     -0.3385000    
 C   -2.461700     -0.3461000     -0.4138000    
 C    2.763600       2.481200      0.6911000    
 C   -4.763600     -0.7425000     -3.4800000E-02
 C   -5.805800     -0.6136000       1.055500    
 H    1.344900      -1.078200       1.123100    
 H    2.464400      0.1762000       1.605700    
 H    2.611400      -1.377900      -1.023900    
 H    3.738000     -0.1229000     -0.5544000    
 H   0.2110000     -0.8461000      -1.009800    
 H  -0.1994000      0.7806000      -1.526600    
 H    3.278700      -2.730000      0.9921000    
 H    4.441300      -1.475600       1.430300    
 H   -1.417800       1.207100      0.5960000    
 H   -1.028700     -0.4343000       1.153000    
 H    5.639800      -1.828600     -0.7421000    
 H    5.549900      -3.321600      0.2082000    
 H    4.470000      -3.090300      -1.177500    
 H    2.952900       3.539000      0.4815000    
 H    2.630000       2.371100       1.770300    
 H    3.633700       1.916800      0.3534000    
 H   -4.676800      -1.790800     -0.3418000    
 H   -5.053800     -0.1334000     -0.8981000    
 H   -5.891300      0.4270000       1.385700    
 H   -5.520500      -1.203100       1.933100    
 H   -6.783800     -0.9540000      0.7040000    


%chk=000104150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104150

0 1
O -3.624906 -0.149014 0.442555
O 0.496824 2.747577 -0.331600
O -2.358664 -1.563812 -0.907735
N 1.207128 0.606300 0.207033
C 2.173992 -0.349171 0.789543
C 3.167115 -0.935707 -0.243302
C -0.002990 0.052174 -0.440077
C 4.121638 -1.977429 0.384327
C -1.243529 0.157333 0.476698
C 1.376068 1.987921 0.190250
C 5.126211 -2.552714 -0.637148
C -2.422552 -0.615863 -0.087554
C 2.642213 2.560130 0.829239
C -4.865478 -0.854008 -0.011977
C -6.038598 -0.163459 0.675484
H 1.602716 -1.177000 1.255431
H 2.733009 0.143172 1.604691
H 2.599433 -1.404169 -1.071899
H 3.756074 -0.111316 -0.692790
H 0.181546 -1.003017 -0.703887
H -0.195654 0.612082 -1.371054
H 3.526054 -2.803948 0.823092
H 4.674847 -1.510764 1.225302
H -1.522213 1.213643 0.624279
H -1.012713 -0.260260 1.477498
H 5.753274 -1.751391 -1.070899
H 5.799570 -3.292679 -0.167594
H 4.600366 -3.054757 -1.470561
H 2.676871 3.632578 0.587395
H 2.620700 2.452619 1.930022
H 3.562571 2.076757 0.456138
H -4.778927 -1.921237 0.262312
H -4.917307 -0.785907 -1.113571
H -6.085819 0.902763 0.395943
H -5.948411 -0.231177 1.773130
H -6.986361 -0.645450 0.373384


