%chk=000019454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019454

0 1
 O   -4.718700      0.7711000      0.4247000    
 O    5.809100     -0.1818000     -0.8069000    
 C   -2.621300     -0.5169000      0.4330000    
 C   -1.815000      0.7967000      0.2306000    
 C  -0.3221000      0.6695000      0.6230000    
 C   0.3921000     -0.5335000     -4.4199999E-02
 C   -3.946900     -0.1820000     -0.3188000    
 C   -1.875300      -1.711400     -0.2131000    
 C   -2.136800       1.196300      -1.220200    
 C  -0.4106000      -1.827700      0.2015000    
 C   0.4991000       1.984500      0.5141000    
 C   -3.473300      0.5369000      -1.587300    
 C    1.865600     -0.7047000      0.4598000    
 C   -2.860300     -0.8013000       1.928600    
 C    1.866700       1.756200       1.178100    
 C    2.617200      0.6139000      0.5420000    
 C   -4.856700      -1.365600     -0.6388000    
 C    2.611500      -1.728900     -0.4229000    
 C   0.7023000       2.548200     -0.8972000    
 C    4.108200      -1.743200     -0.1634000    
 C    3.882300      0.7870000      0.1279000    
 C    4.682700     -0.3632000     -0.3504000    
 H   -2.246800       1.575300      0.8772000    
 H  -0.3364000      0.4426000       1.700600    
 H   0.4185000     -0.3615000      -1.128000    
 H   -1.901600      -1.642000      -1.307100    
 H   -2.384900      -2.650000      3.9500002E-02
 H   -1.366300      0.8707000      -1.925800    
 H   -2.232700       2.283300      -1.306900    
 H  -0.3468000      -2.111900       1.258500    
 H   2.7200000E-02  -2.656900     -0.3650000    
 H  -1.8999999E-02   2.756800       1.098600    
 H   -4.188200       1.290800      -1.935700    
 H   -3.309900     -0.1654000      -2.413100    
 H    1.833000      -1.102100       1.484700    
 H   -3.337700      4.7200002E-02   2.430400    
 H   -3.510900      -1.672400       2.060800    
 H   -1.930200      -1.005000       2.466900    
 H    1.721900       1.523900       2.241600    
 H    2.451000       2.684800       1.151800    
 H   -5.190200      -1.858600      0.2805000    
 H   -5.763400      -1.029100      -1.154900    
 H   -4.368500      -2.109700      -1.274600    
 H    2.438900      -1.497700      -1.482800    
 H    2.221300      -2.737500     -0.2492000    
 H    1.455800       3.344400     -0.8900000    
 H    1.033400       1.788800      -1.610800    
 H  -0.2111000       3.006400      -1.279500    
 H   -5.506800      0.9980000     -9.7800002E-02
 H    4.593800      -2.425200     -0.8696000    
 H    4.333100      -2.081100      0.8539000    
 H    4.384000       1.746500      0.1890000    


%chk=000019454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019454

0 1
O -4.673275 0.814603 0.526361
O 6.011328 -0.194622 -0.550756
C -2.643897 -0.509435 0.440828
C -1.825643 0.808484 0.182301
C -0.330836 0.681572 0.593209
C 0.385447 -0.519302 -0.084794
C -3.980740 -0.202823 -0.322006
C -1.905822 -1.707714 -0.231960
C -2.154054 1.175371 -1.303671
C -0.422433 -1.817798 0.184230
C 0.495259 2.002215 0.499901
C -3.510675 0.479835 -1.638117
C 1.869940 -0.703894 0.395950
C -2.883876 -0.790383 1.940907
C 1.856670 1.754893 1.212129
C 2.625520 0.612400 0.579999
C -4.928496 -1.393793 -0.534293
C 2.641167 -1.668800 -0.544333
C 0.750373 2.566667 -0.920190
C 4.145756 -1.749769 -0.214142
C 3.949251 0.749991 0.243920
C 4.797148 -0.365987 -0.220152
H -2.277710 1.590553 0.824523
H -0.352596 0.445494 1.683420
H 0.413024 -0.346109 -1.182084
H -1.952377 -1.613831 -1.335410
H -2.422504 -2.653351 0.024963
H -1.362015 0.825230 -1.989512
H -2.227865 2.268786 -1.430175
H -0.352746 -2.054712 1.266315
H 0.033178 -2.672076 -0.352255
H -0.052053 2.775040 1.079900
H -4.272902 1.198014 -1.994542
H -3.386371 -0.271523 -2.439924
H 1.812139 -1.170667 1.409256
H -3.432941 0.045010 2.404431
H -3.481942 -1.710741 2.082133
H -1.933161 -0.931838 2.485751
H 1.651825 1.497955 2.274352
H 2.471879 2.673694 1.213571
H -5.250368 -1.810550 0.436605
H -5.835872 -1.075715 -1.084269
H -4.453158 -2.198337 -1.122416
H 2.519568 -1.311074 -1.587206
H 2.198632 -2.680274 -0.497322
H 1.427492 3.439636 -0.858327
H 1.238998 1.824574 -1.577664
H -0.178093 2.900665 -1.408864
H -5.483249 1.115035 0.040967
H 4.689328 -2.401177 -0.920832
H 4.287469 -2.182195 0.798976
H 4.456580 1.716272 0.363620


