%chk=000018995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018995

0 1
 O    1.487400       1.941100      0.2036000    
 O    1.856800      -1.093800     -0.4982000    
 O    3.833600       1.730100      -1.650700    
 O  -0.5182000      -1.769700       2.767800    
 O    1.600300      -2.150900       2.037700    
 C   -1.395800       1.893900      0.5287000    
 C  -0.4979000       3.058100      0.9446000    
 C   -2.800500       2.330200      0.1032000    
 C   0.8963000       2.579200       1.327200    
 C   -3.706800       1.162700     -0.2894000    
 C    3.373200      0.7522000     -0.7154000    
 C    2.795600       1.470400      0.4989000    
 C    2.321200     -0.1031000      -1.409100    
 C   -5.063700       1.652500     -0.7724000    
 C   0.5579000      -1.502800     -0.6428000    
 C  -0.1826000      -1.937500      0.4566000    
 C  -2.4200000E-02  -1.479600      -1.910300    
 C   -1.504800      -2.348700      0.2885000    
 C   -1.346500      -1.890600      -2.078400    
 C   -2.086700      -2.325200     -0.9790000    
 C   0.4053000      -1.968600       1.788700    
 H  -0.9374000       1.350700     -0.3059000    
 H   -1.477200       1.184600       1.361700    
 H  -0.4216000       3.761700      0.1068000    
 H  -0.9462000       3.593200       1.789200    
 H   -2.715300       3.023600     -0.7428000    
 H   -3.267700       2.888800      0.9237000    
 H    1.507800       3.437900       1.627100    
 H   0.8373000       1.877000       2.167100    
 H   -3.842200      0.4913000      0.5662000    
 H   -3.233900      0.5829000      -1.089300    
 H    4.235800      0.1515000     -0.4087000    
 H    2.738000      0.7717000       1.342100    
 H    3.432900       2.316600      0.7806000    
 H    1.520900      0.5434000      -1.793800    
 H    2.776400     -0.6012000      -2.274500    
 H   -5.577600       2.218300      1.1200000E-02
 H   -4.958700       2.297800      -1.650400    
 H   -5.696000      0.8030000      -1.048900    
 H    3.081100       2.302800      -1.878200    
 H   0.5230000      -1.183100      -2.800100    
 H   -2.104000      -2.703400       1.122900    
 H   -1.797800      -1.879800      -3.066200    
 H   -3.115300      -2.648100      -1.110800    
 H  -0.1135000      -1.790900       3.661200    


%chk=000018995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018995

0 1
O 1.208377 2.248223 0.224834
O 1.686950 -1.243535 -0.308230
O 3.092087 1.878238 -1.708366
O 0.914199 -4.037537 2.763890
O 1.632603 -1.873244 2.368104
C -1.755488 2.801642 0.429940
C -0.606731 3.731227 0.879760
C -2.992006 3.573914 -0.080773
C 0.633338 2.975617 1.368054
C -4.149650 2.647768 -0.518415
C 2.861647 0.812003 -0.725593
C 2.358064 1.401132 0.598106
C 1.864475 -0.193988 -1.331468
C -5.384211 3.423793 -1.026238
C 0.786097 -2.272111 -0.527790
C 0.521416 -3.156355 0.570122
C 0.154939 -2.492569 -1.780148
C -0.341188 -4.266043 0.357703
C -0.708768 -3.592026 -1.953749
C -0.955392 -4.489852 -0.888631
C 1.085233 -2.910885 1.921821
H -1.380978 2.126004 -0.363594
H -2.052916 2.151788 1.279673
H -0.311806 4.397644 0.044829
H -0.956920 4.387095 1.703144
H -2.696745 4.218629 -0.935229
H -3.354834 4.259841 0.714090
H 1.394725 3.676310 1.776763
H 0.364141 2.248095 2.164797
H -4.441302 2.002341 0.335157
H -3.787732 1.964485 -1.313677
H 3.833182 0.315348 -0.564414
H 2.053121 0.595784 1.294318
H 3.149805 2.027786 1.060160
H 0.894122 0.298962 -1.535420
H 2.281694 -0.618096 -2.264290
H -5.787893 4.087072 -0.237769
H -5.123512 4.057731 -1.894952
H -6.194128 2.738979 -1.338478
H 2.366821 2.543887 -1.552034
H 0.345029 -1.815675 -2.617431
H -0.524809 -4.939141 1.198818
H -1.186385 -3.749665 -2.927307
H -1.621438 -5.346709 -1.028195
H 1.281467 -3.803710 3.658106


