%chk=000103895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103895

0 1
 O  -0.6140000       2.257500      0.2678000    
 O   0.8218000       3.937400     -0.3933000    
 C    3.125600     -0.5405000      0.5485000    
 C    2.700400      0.9292000      0.5329000    
 C    4.093000     -0.8518000     -0.5947000    
 C    1.705900       1.231200       1.658400    
 C    4.491900      -2.327200     -0.5994000    
 C    1.240600       2.687200       1.651100    
 C    5.427000      -2.647900      -1.754500    
 C   0.4855000       3.065300      0.3959000    
 C   -3.835600     -0.6190000      -1.375700    
 C   -2.621300      0.2850000      -1.415200    
 C   -3.587600      -1.956400     -0.6657000    
 C   -1.411700       2.473900     -0.8885000    
 C   -2.557400       1.512900     -0.8641000    
 C   -3.156500      -1.780800      0.7641000    
 C   -1.436700     -0.2661000      -2.167000    
 C   -2.061300      -2.277800       1.369000    
 C   -1.006300      -3.116100      0.7050000    
 C   -1.803400      -1.996000       2.825400    
 H    3.600500     -0.7768000       1.508400    
 H    2.238100      -1.178900      0.4605000    
 H    3.583100       1.571100      0.6398000    
 H    2.247700       1.159700     -0.4388000    
 H    4.989700     -0.2275000     -0.4991000    
 H    3.622600     -0.5971000      -1.552300    
 H   0.8422000      0.5604000       1.573700    
 H    2.178200       1.018800       2.625100    
 H    3.596700      -2.955100     -0.6784000    
 H    4.984800      -2.582500      0.3458000    
 H   0.5888000       2.884900       2.509500    
 H    2.102900       3.357600       1.744300    
 H    6.347100      -2.058400      -1.689400    
 H    4.949700      -2.435400      -2.716400    
 H    5.700500      -3.707600      -1.737800    
 H   -4.670200     -0.1013000     -0.8848000    
 H   -4.164600     -0.8148000      -2.404000    
 H   -2.888500      -2.560200      -1.248900    
 H   -4.530100      -2.518700     -0.6610000    
 H  -0.8082000       2.392800      -1.797400    
 H   -1.817000       3.493100     -0.8617000    
 H   -3.434300       1.866500     -0.3237000    
 H   -3.846400      -1.191100       1.367300    
 H   -1.727500     -0.5002000      -3.196800    
 H   -1.076100      -1.186100      -1.698000    
 H  -0.5748000      0.4008000      -2.221000    
 H  -0.8859000      -4.062000       1.244000    
 H   -1.227500      -3.367400     -0.3333000    
 H  -4.6399999E-02  -2.589200      0.7191000    
 H  -0.8507000      -1.469500       2.945800    
 H   -2.584300      -1.374600       3.276200    
 H   -1.757500      -2.932800       3.390500    


%chk=000103895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103895

0 1
O -0.694489 2.591414 0.353301
O 0.601302 4.301597 -0.556895
C 2.820803 -0.385014 0.855870
C 2.449562 1.093575 0.606338
C 3.563783 -1.040709 -0.329701
C 1.663563 1.718756 1.779872
C 3.929127 -2.521789 -0.079418
C 1.300960 3.208877 1.553812
C 4.665028 -3.172593 -1.270455
C 0.408109 3.449553 0.343494
C -3.701315 -0.600008 -1.242925
C -2.591370 0.430299 -1.418252
C -3.211857 -2.007286 -0.778246
C -1.643496 2.729204 -0.819334
C -2.640633 1.612243 -0.734927
C -2.527126 -1.973004 0.573523
C -1.479475 0.039704 -2.372834
C -1.377574 -2.600967 0.955018
C -0.536402 -3.489632 0.054194
C -0.844193 -2.453308 2.371848
H 3.447974 -0.459253 1.769278
H 1.893400 -0.958742 1.067704
H 3.372603 1.680984 0.419185
H 1.841326 1.162727 -0.318958
H 4.489816 -0.468051 -0.546619
H 2.934882 -0.968151 -1.242001
H 0.732565 1.144753 1.946090
H 2.265044 1.644290 2.708215
H 3.002968 -3.092980 0.141129
H 4.559177 -2.592767 0.830749
H 0.771121 3.596235 2.446293
H 2.208409 3.821186 1.410344
H 5.608948 -2.639273 -1.491396
H 4.042898 -3.142664 -2.185014
H 4.914478 -4.230019 -1.065469
H -4.445906 -0.220777 -0.516583
H -4.232323 -0.728706 -2.210317
H -2.554934 -2.448516 -1.549868
H -4.106544 -2.663864 -0.726827
H -1.039175 2.722336 -1.742152
H -2.120082 3.722204 -0.731844
H -3.473923 1.771414 -0.036717
H -3.042305 -1.358069 1.329088
H -1.893903 -0.344902 -3.324824
H -0.870643 -0.773897 -1.932482
H -0.795658 0.871580 -2.606148
H -0.516779 -4.528316 0.440935
H -0.902171 -3.528288 -0.985143
H 0.516611 -3.142410 0.035941
H 0.173265 -2.012152 2.369115
H -1.493627 -1.809211 2.989608
H -0.759320 -3.439113 2.871606


