%chk=000101857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101857

0 1
 O   -4.800200      0.7895000      -1.063700    
 O    6.203000      3.3599999E-02  7.6600000E-02
 C   -2.418800      0.3931000     -0.5052000    
 C   -1.787200     -0.6660000      0.4286000    
 C  -0.2948000     -0.8676000      0.1585000    
 C   0.4443000      0.4790000      0.4180000    
 C   -3.912500      0.2929000     -7.1300000E-02
 C   -1.702600       1.735900     -0.2648000    
 C   -2.728400      -1.860100      0.3014000    
 C  -0.1743000       1.616500     -0.4350000    
 C   -4.124300      -1.235300      9.4099998E-02
 C   -2.298300      4.4700000E-02  -2.019000    
 C   0.3278000      -1.960000       1.026500    
 C    1.959400      0.3249000      0.2854000    
 C    1.793100      -2.163200      0.6422000    
 C    2.558100     -0.8839000      0.3878000    
 C   -3.012200      -1.247000      -2.316000    
 C   -4.210600      0.9798000       1.200900    
 C    2.766000       1.593900      0.1002000    
 C    4.055700      -1.070900      0.2788000    
 C    4.251100       1.402300      5.3700000E-02
 C    4.834600      0.1988000      0.1281000    
 C   -4.452600       1.538600       2.235400    
 C    6.723500      0.5306000      -1.141200    
 H   -1.865900     -0.3165000       1.470700    
 H  -0.1503000      -1.166300     -0.8875000    
 H   0.2736000      0.7617000       1.468600    
 H   -1.887600       2.099600      0.7525000    
 H   -2.089700       2.506000     -0.9427000    
 H   -2.741600      -2.370400       1.276500    
 H   -2.428500      -2.668700     -0.3591000    
 H   7.9499997E-02   1.473300      -1.491600    
 H   0.2615000       2.580400     -0.1446000    
 H   -4.745100      -1.748700     -0.6418000    
 H   -4.695000      -1.418800       1.018000    
 H   -1.259700     -3.8300000E-02  -2.351600    
 H   -2.738400      0.8486000      -2.623400    
 H  -0.2052000      -2.910200      0.9096000    
 H   0.2575000      -1.684700       2.086700    
 H    1.843300      -2.776400     -0.2666000    
 H    2.280100      -2.736300       1.440500    
 H   -2.514400      -2.174000      -2.060000    
 H   -4.098000      -1.238600      -2.290800    
 H   -2.896800      -1.326700      -3.413700    
 H   -5.705900      0.5373000     -0.8140000    
 H    2.536700       2.282400      0.9224000    
 H    2.472500       2.079300     -0.8375000    
 H    4.412500      -1.585900       1.179700    
 H    4.268500      -1.720700     -0.5791000    
 H    4.852500       2.302200     -3.6800001E-02
 H   -4.666400       2.034400       3.153200    
 H    7.755400      0.1774000      -1.233800    
 H    6.752200       1.625000      -1.149700    
 H    6.166600      0.1548000      -2.007800    


%chk=000101857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101857

0 1
O -4.899566 0.756310 -0.992936
O 6.192031 -0.218837 -0.330492
C -2.490823 0.322276 -0.488863
C -1.814501 -0.690060 0.490892
C -0.341593 -0.949394 0.126685
C 0.433655 0.395054 0.289271
C -3.969329 0.304033 0.072456
C -1.734879 1.674371 -0.343776
C -2.811122 -1.868537 0.641490
C -0.205803 1.516985 -0.583494
C -4.216983 -1.204511 0.479897
C -2.474966 -0.039081 -2.016590
C 0.343095 -2.038263 0.975935
C 1.943903 0.217101 0.073758
C 1.773234 -2.290417 0.453552
C 2.542313 -1.007595 0.156767
C -2.994445 -1.394601 -2.545235
C -4.156676 1.172103 1.257767
C 2.747197 1.489733 -0.163892
C 4.036500 -1.214168 -0.036621
C 4.244548 1.296282 -0.269296
C 4.814568 0.063490 -0.224280
C -4.400097 1.866957 2.247793
C 7.089230 0.923418 -0.503785
H -1.799924 -0.180103 1.482094
H -0.277308 -1.265709 -0.936836
H 0.289640 0.713079 1.350912
H -1.893725 2.070233 0.678271
H -2.145321 2.425000 -1.047052
H -2.701398 -2.358303 1.625292
H -2.647329 -2.642547 -0.127803
H 0.002326 1.311921 -1.652241
H 0.274843 2.487607 -0.356717
H -4.798428 -1.683288 -0.326757
H -4.809255 -1.271291 1.409030
H -1.433974 0.075091 -2.371024
H -3.060387 0.757298 -2.512946
H -0.239669 -2.979074 0.951486
H 0.382376 -1.706600 2.034070
H 1.730373 -2.910705 -0.468948
H 2.346404 -2.893290 1.188334
H -2.409566 -2.253546 -2.171888
H -4.057272 -1.551467 -2.299283
H -2.911393 -1.401472 -3.648742
H -5.785623 0.922639 -0.580312
H 2.520131 2.212772 0.653079
H 2.380224 1.991983 -1.085695
H 4.459236 -1.760786 0.834002
H 4.220208 -1.883256 -0.906045
H 4.852016 2.199575 -0.399916
H -4.592970 2.482476 3.106991
H 8.101338 0.496247 -0.564147
H 7.022772 1.617649 0.357394
H 6.855866 1.476519 -1.435307


