%chk=000118169.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118169

0 1
 O   0.1573000      0.7658000       2.309700    
 O    1.023300       2.135700      -2.150700    
 O    3.634500       2.825300       1.090800    
 N    2.332200     -0.3565000     -0.1356000    
 C    1.145000       1.705000      0.2653000    
 C   -1.104500      0.8179000      0.2967000    
 C  -0.8502000       1.219500      -1.011800    
 C   7.5999998E-02   1.054400       1.130700    
 C   0.5127000       1.744700      -1.117900    
 C    2.415600      0.9328000      0.2749000    
 C   -2.319400      0.2743000      0.6661000    
 C   -1.799900       1.094300      -2.007100    
 C   -3.293600      0.1424000     -0.3272000    
 C    3.592900       1.530800      0.6873000    
 C   -3.036200      0.5485000      -1.651100    
 C    3.454100      -1.101000     -0.1446000    
 C    4.699400     -0.5754000      0.2587000    
 C    4.747200      0.7613000      0.6769000    
 C   -4.584800     -0.4202000      7.4999998E-03
 C    3.407300      -2.429000     -0.5598000    
 C    5.850500      -1.381300      0.2367000    
 C   -5.620800      0.4138000      0.4265000    
 C   -4.791500      -1.795800     -8.9699998E-02
 C    4.551300      -3.230300     -0.5818000    
 C    5.774700      -2.706100     -0.1832000    
 C   -6.865000     -0.1284000      0.7488000    
 C   -6.035600      -2.338000      0.2324000    
 C   -7.072300      -1.504300      0.6517000    
 H    1.249700       2.741900      0.6040000    
 H   -2.503600     -3.7000000E-02   1.689400    
 H   -1.603900       1.403500      -3.027300    
 H   -3.800400      0.4407000      -2.418500    
 H    5.691800       1.198200      0.9946000    
 H    2.460800      -2.863300     -0.8770000    
 H    6.813100     -0.9809000      0.5467000    
 H   -5.476000       1.488500      0.5075000    
 H   -3.994100      -2.459900     -0.4149000    
 H    4.483000      -4.263100     -0.9109000    
 H    4.547700       3.051300       1.337900    
 H    6.666100      -3.325700     -0.1989000    
 H   -7.672300      0.5206000       1.075300    
 H   -6.197300      -3.409400      0.1569000    
 H   -8.041000      -1.926500      0.9025000    


%chk=000118169-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118169

0 1
O 0.211046 0.488337 2.446143
O 1.070559 2.402350 -1.942427
O 3.628691 2.705889 1.374951
N 2.440319 -0.389349 -0.190623
C 1.193504 1.617708 0.435743
C -1.114910 0.766842 0.398371
C -0.862222 1.326746 -0.878730
C 0.097850 0.888752 1.262356
C 0.529736 1.852806 -0.951371
C 2.489897 0.839311 0.350098
C -2.363781 0.207887 0.722170
C -1.868877 1.329585 -1.867393
C -3.391495 0.196468 -0.260939
C 3.719555 1.416183 0.834635
C -3.117925 0.761342 -1.549419
C 3.606341 -1.133955 -0.290287
C 4.881880 -0.625013 0.173478
C 4.905930 0.686678 0.745817
C -4.727682 -0.392654 0.036813
C 3.538965 -2.439612 -0.869032
C 6.048175 -1.445522 0.041035
C -5.908859 0.132667 -0.557667
C -4.854963 -1.494259 0.928244
C 4.692998 -3.219172 -0.986396
C 5.953794 -2.718326 -0.528421
C -7.173003 -0.423643 -0.270848
C -6.118443 -2.051992 1.214203
C -7.284383 -1.519515 0.616195
H 1.406206 2.598148 0.904143
H -2.535783 -0.186472 1.728799
H -1.669804 1.751308 -2.857519
H -3.897913 0.721477 -2.317421
H 5.855241 1.103407 1.107313
H 2.561828 -2.794941 -1.210031
H 7.015167 -1.064169 0.390864
H -5.843681 1.002580 -1.221033
H -3.957974 -1.936768 1.375619
H 4.638377 -4.219123 -1.430045
H 4.509533 3.034085 1.683526
H 6.849386 -3.341658 -0.627187
H -8.071032 0.002921 -0.731061
H -6.192577 -2.906120 1.896096
H -8.265871 -1.952117 0.838740


