%chk=000157485.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157485

0 1
 O    1.268500      0.5757000      -1.084400    
 O   -1.439700      0.6105000     -0.7423000    
 O   -3.455400       1.758800     -0.2663000    
 O    1.098900       3.379600       1.302500    
 O    2.545100     -0.8214000      0.3433000    
 O    3.848100       3.400400      0.4701000    
 O    4.819300      0.7463000     -0.1522000    
 O   -4.710200     -0.1171000      -2.149800    
 O   -2.764800      -1.617100      0.5518000    
 O   -4.840300     -0.6659000       2.114200    
 N   0.6055000      -2.727600       2.369500    
 C   0.7075000       1.406300     -6.1500002E-02
 C    1.591400       2.635300      0.1909000    
 C    3.033700       2.225900      0.4964000    
 C    3.545500       1.239700     -0.5515000    
 C    2.569600      8.0899999E-02 -0.7612000    
 C  -0.6951000       1.794100     -0.5218000    
 C   -2.766100      0.8944000      -1.176300    
 C   -3.533400     -0.4170000      -1.401800    
 C   -3.929000      -1.088900     -8.2300000E-02
 C   -4.592600     -7.1300000E-02  0.8476000    
 C   -3.717300       1.165700       1.003000    
 C    1.661300      -1.906200      0.1051000    
 C    2.419600      -3.023700     -0.5730000    
 C    1.072700      -2.367200       1.370000    
 C    3.565900      -3.656800      0.1694000    
 C    2.091300      -3.433200      -1.809300    
 H   0.6029000      0.8126000      0.8560000    
 H    1.574400       3.300800     -0.6808000    
 H    3.126000       1.809200       1.506100    
 H    3.683400       1.775400      -1.499500    
 H    2.923900     -0.4804000      -1.634500    
 H  -0.6370000       2.354700      -1.462800    
 H   -1.170100       2.421700      0.2392000    
 H   -2.705000       1.435000      -2.128900    
 H   -2.918700      -1.106200      -1.993000    
 H   -4.617500      -1.924600     -0.2532000    
 H   -5.558100      0.2206000      0.4166000    
 H   -4.231500       1.909800       1.621400    
 H   -2.779000      0.9385000       1.523000    
 H    1.074900       2.787300       2.073400    
 H    3.794800       3.786500     -0.4208000    
 H    5.115300      0.1158000     -0.8308000    
 H   0.8124000      -1.602400     -0.5205000    
 H   -4.429800      0.2479000      -3.006300    
 H   -2.366400      -2.262100     -5.7100002E-02
 H   -5.260700      6.6000000E-03   2.676900    
 H    4.085100      -4.404600     -0.4400000    
 H    3.214800      -4.160200       1.075400    
 H    4.303200      -2.899000      0.4537000    
 H    1.271700      -2.979400      -2.356700    
 H    2.635000      -4.231300      -2.304000    


%chk=000157485-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157485

0 1
O 1.150268 0.899839 -1.517596
O -1.600203 0.710678 -0.513736
O -3.675724 1.801498 0.116926
O 1.109680 3.101909 1.507998
O 2.681699 -0.781642 -0.626994
O 3.872506 3.154239 0.785594
O 4.857439 0.871507 -0.815940
O -4.884012 -0.353381 -1.803942
O -2.858589 -1.510265 1.087364
O -5.280465 -0.785694 2.361927
N -0.442517 -2.249051 -0.309795
C 0.655619 1.459483 -0.214479
C 1.601251 2.592865 0.228843
C 3.023429 2.032874 0.373138
C 3.512816 1.439949 -0.959828
C 2.500459 0.405263 -1.499625
C -0.772842 1.922348 -0.446131
C -2.996634 0.957407 -0.847799
C -3.631056 -0.447163 -1.036859
C -4.020666 -1.129719 0.303631
C -4.849081 -0.126601 1.124205
C -3.984283 1.117053 1.405849
C 2.083552 -2.036798 -1.152666
C 2.935741 -3.207008 -0.662146
C 0.676067 -2.152894 -0.695227
C 3.012330 -3.404654 0.836310
C 3.578426 -3.984417 -1.570774
H 0.657756 0.655026 0.545304
H 1.617671 3.401634 -0.534828
H 3.023663 1.241427 1.154006
H 3.619140 2.252030 -1.699502
H 2.714532 0.126062 -2.548801
H -0.846395 2.495913 -1.395310
H -1.090030 2.565871 0.394831
H -3.060988 1.549954 -1.788071
H -2.888953 -1.074624 -1.573022
H -4.647134 -2.012472 0.062373
H -5.719366 0.172854 0.504279
H -4.524959 1.879142 1.991423
H -3.053473 0.815015 1.917568
H 1.821280 3.682252 1.885200
H 4.816118 2.849198 0.761259
H 4.745024 -0.037385 -0.426860
H 2.082235 -2.007036 -2.261939
H -4.698522 0.036296 -2.695149
H -2.104183 -1.820100 0.512333
H -5.955008 -0.210335 2.804554
H 3.689785 -4.234466 1.094831
H 2.014805 -3.627800 1.260886
H 3.373567 -2.486214 1.334732
H 3.496347 -3.812704 -2.650560
H 4.205876 -4.824762 -1.254886


