%chk=000014913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014913

0 1
 O  -0.8497000       2.851100      -1.267700    
 O    2.469300      -1.656400       1.073600    
 C   -1.873600     -0.3677000      0.6631000    
 C   -1.762000       1.151700      0.2569000    
 C   -2.253800      -1.318900     -0.5143000    
 C  -0.8135000       1.466500     -0.9345000    
 C   -2.826900     -0.5435000       1.861700    
 C   -1.336700       2.019900       1.458400    
 C   -3.630800     -0.9850000      -1.106600    
 C   -2.203800      -2.804100     -0.1459000    
 C   0.5774000       1.064600     -0.6833000    
 C    3.099600      0.3705000     -0.1151000    
 C    3.266100      -1.159200     -1.9999999E-04
 C    1.711300      0.7481000     -0.4457000    
 C    3.521400       1.068000       1.181000    
 C    2.905600      -1.905600      -1.281400    
 H  -0.8811000     -0.6856000       1.012000    
 H   -2.760500       1.511400     -2.5800001E-02
 H   -1.510300      -1.184000      -1.308900    
 H   -1.182000      0.9397000      -1.820900    
 H   -2.968200      -1.595400       2.123100    
 H   -2.422400     -6.6699997E-02   2.760100    
 H   -3.809400     -0.1049000       1.661100    
 H   -2.120500       2.045400       2.222100    
 H  -0.4222000       1.640800       1.926500    
 H   -1.164000       3.062200       1.171100    
 H   -4.433200      -1.120400     -0.3750000    
 H   -3.672400      4.2100001E-02  -1.479500    
 H   -3.847400      -1.642600      -1.956100    
 H   -1.255200      -3.052700      0.3411000    
 H   -3.022000      -3.094100      0.5201000    
 H   -2.285300      -3.422400      -1.046900    
 H    3.755600      0.7272000     -0.9196000    
 H  -0.3199000       2.976900      -2.073700    
 H    4.309700      -1.384600      0.2487000    
 H    4.552300      0.8090000       1.444400    
 H    3.468500       2.157300       1.070700    
 H    2.874800      0.7939000       2.022400    
 H    3.104700      -2.976000      -1.158700    
 H    1.840000      -1.818900      -1.518400    
 H    3.489500      -1.540300      -2.131500    
 H    1.533700      -1.574200      0.8229000    


%chk=000014913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014913

0 1
O -0.971231 3.015788 -0.880357
O 2.436476 -1.031059 1.735861
C -1.907339 -0.429988 0.576021
C -1.811656 1.122374 0.392232
C -2.136350 -1.219720 -0.760613
C -0.862776 1.537839 -0.772352
C -2.969490 -0.777075 1.650206
C -1.395745 1.842482 1.696570
C -3.460560 -0.851645 -1.475074
C -2.043865 -2.751949 -0.552294
C 0.538650 1.101180 -0.591061
C 3.104775 0.263351 -0.301263
C 3.099998 -1.129033 0.425566
C 1.715762 0.735445 -0.487017
C 3.954489 1.295753 0.487101
C 2.487440 -2.252649 -0.427573
H -0.918690 -0.768042 0.964033
H -2.810896 1.502881 0.094199
H -1.299888 -0.953047 -1.440434
H -1.239144 1.099484 -1.719959
H -3.076535 -1.868786 1.771884
H -2.693003 -0.367030 2.636284
H -3.960918 -0.365001 1.382993
H -2.177817 1.757626 2.469943
H -0.459575 1.416346 2.106519
H -1.227331 2.913271 1.496379
H -4.336338 -1.115789 -0.853928
H -3.525465 0.227482 -1.707260
H -3.551762 -1.404813 -2.428427
H -1.127685 -3.028760 0.003984
H -2.912578 -3.145055 0.006860
H -2.018230 -3.273014 -1.527768
H 3.565601 0.108680 -1.299388
H -0.301444 3.329351 -1.540323
H 4.146217 -1.372971 0.684462
H 5.012383 0.975800 0.511423
H 3.902785 2.294999 0.021865
H 3.590091 1.367463 1.525761
H 2.485380 -3.196601 0.143919
H 1.445306 -2.011198 -0.710418
H 3.066239 -2.408697 -1.357225
H 1.497416 -0.742572 1.579971


