%chk=000014697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014697

0 1
 O   -4.896900     -0.7066000     -0.2412000    
 O   -3.018000      -1.804700      -1.016100    
 C   -1.278000     -0.1666000      0.2241000    
 C  -0.3527000       1.097100      0.2539000    
 C   -2.800900      0.1354000      0.4196000    
 C  -0.8096000       2.058500     -0.8886000    
 C  -0.7428000      -1.269300       1.149700    
 C   -3.194200       1.513700     -0.1603000    
 C   -2.280600       1.940800      -1.301000    
 C    1.127100      0.6935000      7.2300002E-02
 C   0.6254000      -1.741600      0.6726000    
 C  -0.4080000       1.852600       1.606900    
 C    1.567700     -0.6250000      0.3087000    
 C   -3.310100      2.5200000E-02   1.866700    
 C   -3.555800     -0.9157000     -0.3700000    
 C    2.089600       1.663200     -0.2797000    
 C    2.928700     -0.9451000      0.1520000    
 C    3.857400      2.7500000E-02 -0.2088000    
 C    3.437900       1.333600     -0.4217000    
 C    5.296300     -0.3318000     -0.3635000    
 C   -5.733600      -1.633100     -0.9410000    
 C    5.529300      -1.362400      -1.484600    
 C    5.921500     -0.8392000      0.9500000    
 H   -1.145300     -0.5562000     -0.7985000    
 H  -0.2175000       1.887000      -1.797900    
 H  -0.6097000       3.099500     -0.6015000    
 H   -1.417000      -2.133300       1.167100    
 H  -0.6691000     -0.9114000       2.182500    
 H   -3.155800       2.283700      0.6191000    
 H   -4.227900       1.535700     -0.5248000    
 H   -2.617800       2.901000      -1.709200    
 H   -2.368100       1.216200      -2.120700    
 H   0.4961000      -2.375300     -0.2143000    
 H    1.071300      -2.365300       1.457100    
 H  -0.1044000       1.216900       2.445400    
 H   0.2703000       2.715200       1.611800    
 H   -1.398000       2.251200       1.831500    
 H   -3.311200      -1.012600       2.219900    
 H   -2.700400      0.6083000       2.561400    
 H   -4.339100      0.3919000       1.964700    
 H    1.797400       2.698200     -0.4414000    
 H    3.248800      -1.971800      0.3185000    
 H    4.144700       2.111900     -0.6971000    
 H    5.858100      0.5686000     -0.6475000    
 H   -6.775100      -1.357000     -0.7563000    
 H   -5.567800      -2.648500     -0.5687000    
 H   -5.541100      -1.578700      -2.016700    
 H    5.068900      -2.329200      -1.254600    
 H    6.601300      -1.530900      -1.634100    
 H    5.109200      -1.007700      -2.432400    
 H    5.783500     -0.1081000       1.754300    
 H    6.997400      -1.002300      0.8248000    
 H    5.476900      -1.785400       1.276800    


%chk=000014697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014697

0 1
O -4.984995 -0.819961 -0.116998
O -3.143041 -1.749300 -1.167729
C -1.293212 -0.131507 0.219785
C -0.363554 1.129937 0.259949
C -2.823384 0.170068 0.425671
C -0.790322 2.091800 -0.919760
C -0.766167 -1.268456 1.123538
C -3.195485 1.568215 -0.196790
C -2.266092 1.915945 -1.375208
C 1.113683 0.692001 0.081980
C 0.577608 -1.778977 0.571010
C -0.424654 1.910117 1.614464
C 1.555142 -0.650483 0.264268
C -3.298300 0.118247 1.907187
C -3.609058 -0.902806 -0.368400
C 2.091079 1.674478 -0.226113
C 2.932816 -0.957073 0.131172
C 3.905664 0.021377 -0.178949
C 3.456471 1.353416 -0.358428
C 5.388280 -0.335192 -0.320003
C -5.831623 -1.784951 -0.856958
C 5.633042 -1.298072 -1.513212
C 5.967777 -0.927950 0.992048
H -1.209784 -0.521917 -0.815684
H -0.127883 1.922126 -1.788608
H -0.630854 3.140892 -0.600709
H -1.489854 -2.105295 1.140241
H -0.642872 -0.921126 2.167492
H -3.107716 2.342757 0.588690
H -4.255738 1.562565 -0.508353
H -2.610468 2.844701 -1.869373
H -2.334122 1.115140 -2.137547
H 0.378600 -2.347074 -0.361825
H 1.043790 -2.494158 1.276122
H -0.228989 1.246652 2.476227
H 0.353022 2.694987 1.624241
H -1.397034 2.408484 1.768412
H -3.176798 -0.888095 2.344586
H -2.720803 0.827562 2.521534
H -4.366533 0.384827 1.970612
H 1.777903 2.716055 -0.367863
H 3.245441 -2.000128 0.278465
H 4.181547 2.141221 -0.598840
H 5.936296 0.605452 -0.532821
H -6.858185 -1.562937 -0.532723
H -5.547672 -2.819498 -0.600488
H -5.716925 -1.641105 -1.944709
H 5.115829 -2.262785 -1.355046
H 6.712950 -1.507616 -1.630995
H 5.257168 -0.865281 -2.457801
H 5.829385 -0.232395 1.839354
H 7.049249 -1.133572 0.882927
H 5.467678 -1.879710 1.251158


