%chk=000163409.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163409

0 1
 O   -2.974500     -2.6000000E-03 -0.1425000    
 O   -2.011300       2.065700      0.2443000    
 C    4.237800     -0.7177000     -0.1952000    
 C    5.373100      0.2648000      0.1003000    
 C    2.870100     -3.5999998E-02 -8.0200002E-02
 C    6.737100     -0.4197000      1.5100000E-02
 C   -5.344500     -0.5139000     -0.2307000    
 C    1.705300     -0.9931000     -0.3400000    
 C   -4.281500      0.5697000     -2.9999999E-02
 C    7.866000      0.5450000      0.3416000    
 C   -5.227700      -1.612200      0.8284000    
 C   -6.742500      0.1002000     -0.2066000    
 C   0.4005000     -0.3295000     -0.2132000    
 C   -1.941800      0.8669000      1.7899999E-02
 C  -0.6662000      0.2124000     -0.1093000    
 H    4.358500      -1.130400      -1.204000    
 H    4.286100      -1.558500      0.5074000    
 H    5.333900       1.098400     -0.6114000    
 H    5.238500      0.6893000       1.102800    
 H    2.820700      0.8009000     -0.7890000    
 H    2.765100      0.3997000      0.9220000    
 H    6.774700      -1.264100      0.7132000    
 H    6.888000     -0.8244000     -0.9924000    
 H   -5.182400     -0.9838000      -1.209100    
 H    1.799600      -1.419500      -1.345700    
 H    1.755300      -1.830600      0.3658000    
 H   -4.394500       1.346100     -0.7965000    
 H   -4.390000       1.031300      0.9593000    
 H    7.762200      0.9415000       1.356600    
 H    7.876300       1.387500     -0.3573000    
 H    8.832000      3.5100002E-02  0.2733000    
 H   -5.994000      -2.379900      0.6765000    
 H   -5.352600      -1.204800       1.837400    
 H   -4.251800      -2.106200      0.7806000    
 H   -7.506600     -0.6648000     -0.3809000    
 H   -6.847000      0.8599000     -0.9883000    
 H   -6.952300      0.5750000      0.7580000    


%chk=000163409-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163409

0 1
O -3.050232 -0.029647 -0.240420
O -2.131930 2.106986 0.013094
C 4.273659 -0.667609 -0.246494
C 5.447111 0.243203 0.178956
C 2.897296 0.017996 -0.105572
C 6.826594 -0.442728 0.050310
C -5.429849 -0.571359 -0.152147
C 1.735534 -0.920062 -0.540240
C -4.410772 0.574891 -0.106470
C 7.995282 0.473294 0.473113
C -5.239490 -1.544777 1.032792
C -6.858509 0.023804 -0.173765
C 0.403421 -0.314266 -0.412158
C -1.981887 0.870078 -0.160258
C -0.719246 0.189953 -0.301587
H 4.421711 -0.987351 -1.299493
H 4.288951 -1.593816 0.365807
H 5.438973 1.166567 -0.436897
H 5.297872 0.569423 1.229323
H 2.867764 0.939206 -0.718563
H 2.736717 0.330228 0.944274
H 6.834361 -1.363499 0.668837
H 6.973833 -0.771760 -0.998741
H -5.263428 -1.128509 -1.095886
H 1.887876 -1.229259 -1.594738
H 1.768041 -1.851926 0.060277
H -4.553015 1.293621 -0.935204
H -4.457412 1.132051 0.848973
H 7.886314 0.794317 1.526289
H 8.030833 1.385118 -0.152533
H 8.968929 -0.041123 0.375876
H -5.949017 -2.389413 0.962529
H -5.420521 -1.029144 1.995998
H -4.214038 -1.952081 1.047620
H -7.611491 -0.783421 -0.218052
H -7.015644 0.683311 -1.047742
H -7.054991 0.615406 0.741088


