%chk=000003298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003298

0 1
 O    5.368200      0.2217000       0.000000    
 O    3.720700     -0.1344000      -1.575300    
 C    2.125300       1.936900     -0.5137000    
 C    1.420400       3.052000      0.2599000    
 C    3.471100       1.589700      0.1220000    
 C   8.1799999E-02   3.372300     -0.3375000    
 C   -1.080500       3.225700      0.3161000    
 C   -2.418600       3.551300     -0.2806000    
 C    4.166600      0.4611000     -0.6041000    
 C   -3.322100       2.351600     -0.3022000    
 C   -5.465700       1.141100      0.3984000    
 C   -4.484700       2.283900      0.3667000    
 C   -4.487400      -2.486500     -0.6804000    
 C   -5.076900     -6.8200000E-02 -0.4016000    
 C   -4.883700      -1.285800      0.1278000    
 C  -0.7890000      -3.743000     -0.5271000    
 C    6.151700     -0.8264000     -0.5797000    
 C   -3.179400      -3.055000     -0.2137000    
 C   -2.092200      -3.162800     -0.9925000    
 C   0.1457000      -2.677300     -3.3500001E-02
 C    1.626800      -1.622000       1.694700    
 C   0.6865000      -2.677600       1.194100    
 C    7.442600     -0.9653000      0.1984000    
 C   0.8730000     -0.4832000       2.363800    
 H    2.277900       2.241700      -1.557100    
 H    1.489000       1.042700     -0.5402000    
 H    2.035000       3.960000      0.2436000    
 H    1.314200       2.760200       1.312000    
 H    3.324500       1.284700       1.163600    
 H    4.126200       2.467900      9.7000003E-02
 H   7.7900000E-02   3.745900      -1.358500    
 H   -1.072500       2.863500       1.341800    
 H   -2.312000       3.921500      -1.307400    
 H   -2.865100       4.367300      0.3004000    
 H   -2.991500       1.516600     -0.9140000    
 H   -5.629700      0.8674000       1.448100    
 H   -6.427400       1.506000      1.7899999E-02
 H   -4.782500       3.145900      0.9617000    
 H   -5.261500      -3.254500     -0.5648000    
 H   -4.448200      -2.243700      -1.749300    
 H   -4.964600      6.6699997E-02  -1.475200    
 H   -5.015900      -1.429500       1.197700    
 H  -0.3199000      -4.270400      -1.366000    
 H  -0.9676000      -4.499500      0.2474000    
 H    6.373500     -0.5813000      -1.624400    
 H    5.590900      -1.766900     -0.5377000    
 H   -3.134700      -3.416400      0.8115000    
 H   -2.130000      -2.801800      -2.017500    
 H   0.4086000      -1.883400     -0.7291000    
 H    2.227200      -1.227600      0.8680000    
 H    2.329600      -2.074700       2.403100    
 H   0.4272000      -3.468500       1.893300    
 H    8.006000     -2.6600000E-02  0.1810000    
 H    7.236300      -1.192600       1.249600    
 H    8.067300      -1.760000     -0.2188000    
 H   0.2760000     -0.8455000       3.207600    
 H    1.576400      0.2635000       2.745300    
 H   0.1992000      1.6799999E-02   1.659700    


%chk=000003298-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003298

0 1
O 5.301308 0.190475 -0.599899
O 3.258564 -0.925299 -0.622411
C 2.037885 1.764128 -0.123783
C 1.424525 2.909868 0.725420
C 3.423986 1.320932 0.401177
C 0.119986 3.401261 0.133961
C -1.105106 3.264073 0.705331
C -2.411485 3.676865 0.047093
C 3.938309 0.084804 -0.316794
C -3.296999 2.473729 -0.246771
C -5.516110 1.186583 -0.244735
C -4.617883 2.381295 0.055524
C -4.048151 -2.294526 -1.478719
C -4.866270 0.094034 -1.069018
C -4.723045 -1.195667 -0.670214
C -0.652083 -3.779170 -0.027576
C 5.927773 -0.990346 -1.276628
C -3.009411 -3.043024 -0.656700
C -1.671456 -3.044341 -0.887053
C 0.362769 -2.839043 0.609376
C 1.427938 -1.640742 2.591229
C 0.443226 -2.594028 1.943534
C 7.397204 -0.644431 -1.492982
C 0.721458 -0.438071 3.271835
H 2.131723 2.094714 -1.177318
H 1.352119 0.897311 -0.122997
H 2.154164 3.745041 0.784231
H 1.259043 2.551261 1.760665
H 3.337322 1.067252 1.477891
H 4.170402 2.129128 0.316593
H 0.188261 3.871892 -0.861052
H -1.189700 2.778966 1.690483
H -2.176982 4.207258 -0.899490
H -2.965431 4.392058 0.688285
H -2.796809 1.626470 -0.737484
H -5.884856 0.760921 0.712025
H -6.421551 1.563479 -0.770160
H -5.109457 3.228224 0.561818
H -4.819541 -3.017466 -1.823900
H -3.583805 -1.863746 -2.385859
H -4.482656 0.395400 -2.056362
H -5.097289 -1.490559 0.323466
H -0.111264 -4.515951 -0.659768
H -1.179185 -4.352657 0.758873
H 5.388469 -1.172231 -2.223751
H 5.789206 -1.874308 -0.628032
H -3.398040 -3.606924 0.206978
H -1.270215 -2.466335 -1.734530
H 1.063803 -2.327611 -0.068495
H 2.138042 -1.279620 1.823879
H 2.023959 -2.181255 3.356025
H -0.264775 -3.097674 2.623384
H 7.502148 0.251254 -2.128797
H 7.902399 -0.449655 -0.531586
H 7.910529 -1.486960 -1.991359
H 0.000356 -0.782174 4.037028
H 1.452660 0.225619 3.772072
H 0.160019 0.154715 2.526349


