%chk=000226477.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226477

0 1
 O   0.4734000      0.5134000       1.213600    
 O   1.9700000E-02  0.1638000      -1.785600    
 O    1.425500      -2.271100      0.5245000    
 O   -2.785900      0.5856000     -0.3614000    
 O    2.305800       1.148300     -0.1143000    
 O   -1.133700       2.069300      -2.314500    
 O   0.7793000      -3.506800      -1.317500    
 O   -3.142700      0.5111000       1.920000    
 O    2.332100       2.521600       1.743100    
 C   1.1700000E-02 -0.7872000     -0.7144000    
 C  -0.6038000     -6.9899999E-02  0.4624000    
 C    1.420400      -1.080600     -0.2544000    
 C   -1.454700       1.011000     -0.1591000    
 C    1.729000      9.9100001E-02  0.6540000    
 C  -0.8589000       1.176700      -1.526600    
 C    1.083300      -3.421700     -0.1353000    
 C   -3.534200      0.3676000      0.7697000    
 C    2.557700       2.312900      0.5588000    
 C    1.132500      -4.587900      0.8047000    
 C   -4.917900     -7.6600000E-02  0.4033000    
 C    3.161400       3.321400     -0.3710000    
 H  -0.6025000      -1.633700      -1.028400    
 H   -1.125600     -0.7648000       1.125900    
 H    2.144100      -1.162200      -1.073700    
 H   -1.406600       1.964300      0.3787000    
 H    2.408800     -0.1776000       1.468500    
 H   0.4220000      -4.435100       1.620800    
 H    2.146700      -4.707000       1.193800    
 H   0.8555000      -5.499300      0.2672000    
 H   -4.868700      -1.012800     -0.1583000    
 H   -5.411900      0.7003000     -0.1854000    
 H   -5.498200     -0.2463000       1.314800    
 H    2.466200       3.534400      -1.187000    
 H    4.109800       2.943900     -0.7614000    
 H    3.353100       4.249600      0.1749000    


%chk=000226477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226477

0 1
O 0.080327 -0.454340 1.419263
O -0.621418 -0.555051 -1.947841
O 1.313498 -2.881706 0.093401
O -3.104127 0.595895 0.043321
O 1.500791 0.821630 -0.038092
O -1.587570 1.502706 -2.427895
O 3.598833 -2.626031 -0.298370
O -3.027223 2.764512 0.924123
O 3.012607 1.523454 1.608538
C -0.400676 -1.418958 -0.765355
C -1.033662 -0.691129 0.468960
C 1.105088 -1.518087 -0.446334
C -1.631411 0.610684 -0.089587
C 1.316462 -0.473003 0.665981
C -1.302489 0.635725 -1.596590
C 2.656592 -3.331159 0.114498
C -3.698307 1.787355 0.543413
C 2.367392 1.775940 0.575971
C 2.733227 -4.717347 0.704447
C -5.200445 1.658570 0.512386
C 2.348702 3.059664 -0.214703
H -0.831155 -2.406337 -0.984719
H -1.785567 -1.283069 1.009243
H 1.755483 -1.339489 -1.316423
H -1.229867 1.507386 0.413956
H 2.146765 -0.644055 1.365865
H 1.953231 -5.367627 0.276160
H 2.559609 -4.666107 1.794484
H 3.729817 -5.143055 0.519772
H -5.515127 0.646719 0.813084
H -5.556502 1.826427 -0.520296
H -5.651463 2.415376 1.170342
H 1.363429 3.548465 -0.108374
H 2.495875 2.853515 -1.287812
H 3.131983 3.736231 0.155583


