%chk=000045059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045059

0 1
 O    3.618900       1.029900      0.7728000    
 O   -3.511100      0.9520000      0.7815000    
 O   2.6600000E-02  0.4332000      0.8497000    
 O   -1.223900       2.354700      0.5804000    
 C    4.714300      0.3818000      0.2657000    
 C    6.783400      0.4372000     -0.9652000    
 C    5.974800      -1.646300     -4.7800001E-02
 C   -6.688300      0.3933000     -0.9446000    
 C   -5.855600      -1.713300     -0.1049000    
 C    4.859900     -0.9859000      0.4687000    
 C    5.669200       1.097800     -0.4475000    
 C    6.936500     -0.9348000     -0.7652000    
 C   -4.599100      0.3167000      0.2662000    
 C   -6.829700     -0.9856000     -0.7883000    
 C    2.421700      0.2705000      0.8883000    
 C   -5.572600       1.044400     -0.4180000    
 C   -4.740700      -1.062000      0.4230000    
 C    1.231100       1.200300      0.7540000    
 C    7.812900       1.198400      -1.729900    
 C    6.140200      -3.112600      0.1682000    
 C   -7.728500       1.171000      -1.677700    
 C   -6.005900      -3.187900      5.9799999E-02
 C   -2.300600      0.2015000      0.8656000    
 C   -1.133500       1.145700      0.7450000    
 H    4.141800      -1.561600       1.045500    
 H    5.541700       2.166500     -0.6001000    
 H    7.804400      -1.449000      -1.171400    
 H   -7.697300      -1.492900      -1.203600    
 H    2.335400     -0.4936000      0.1041000    
 H    2.393200     -0.2319000       1.862700    
 H   -5.455100       2.118500     -0.5387000    
 H   -4.010900      -1.650900      0.9720000    
 H    1.267300       1.717900     -0.2123000    
 H    1.256100       1.957500       1.547000    
 H    7.857600       2.243100      -1.403500    
 H    8.810800      0.7730000      -1.578400    
 H    7.579600       1.175700      -2.799000    
 H    7.192100      -3.410500      0.1021000    
 H    5.787100      -3.404100       1.163200    
 H    5.573500      -3.669300     -0.5848000    
 H   -8.720700      0.7269000      -1.543500    
 H   -7.495800       1.194700      -2.746900    
 H   -7.786500       2.200700      -1.308700    
 H   -5.457000      -3.711600     -0.7291000    
 H   -5.623700      -3.514800       1.032800    
 H   -7.057700      -3.489800      1.1600000E-02
 H   -2.209500     -0.5150000      3.9900001E-02
 H   -2.253400     -0.2963000       1.839600    


%chk=000045059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045059

0 1
O 3.643153 0.985035 -0.309643
O -3.561124 0.978841 -0.334678
O 0.023238 0.453335 -0.242684
O -1.199277 2.419757 -0.559044
C 4.864260 0.286926 -0.205131
C 7.302477 0.506415 -0.233785
C 6.251330 -1.708062 0.088869
C -7.209176 0.444371 -0.254193
C -6.129774 -1.757944 0.060602
C 4.966641 -1.105951 -0.001249
C 6.023611 1.092553 -0.320724
C 7.402150 -0.898568 -0.028420
C -4.769331 0.255851 -0.229171
C -7.290377 -0.962722 -0.052759
C 2.404796 0.208145 -0.202388
C -5.938529 1.047181 -0.340548
C -4.852550 -1.139372 -0.029614
C 1.285462 1.234641 -0.355013
C 8.556466 1.355156 -0.359323
C 6.366853 -3.207106 0.313613
C -8.474195 1.276458 -0.378414
C -6.225921 -3.258732 0.282949
C -2.329543 0.221532 -0.226420
C -1.162930 1.193616 -0.367489
H 4.074713 -1.735024 0.089753
H 5.900817 2.169155 -0.477670
H 8.394372 -1.361734 0.040718
H -8.276526 -1.438665 0.016632
H 2.348257 -0.554911 -1.004095
H 2.340831 -0.296717 0.782060
H -5.826187 2.125201 -0.493888
H -3.954148 -1.759837 0.058570
H 1.323751 1.739582 -1.335314
H 1.320280 1.998734 0.440225
H 8.312770 2.425633 -0.467895
H 9.205582 1.243289 0.529264
H 9.156118 1.054415 -1.239317
H 7.420411 -3.534647 0.309021
H 5.926730 -3.502667 1.285042
H 5.833273 -3.774512 -0.472029
H -9.138492 1.127029 0.493097
H -9.051317 0.993137 -1.279174
H -8.245814 2.353262 -0.450421
H -5.674711 -3.817971 -0.496309
H -5.793839 -3.548562 1.259789
H -7.274520 -3.601275 0.265433
H -2.249398 -0.548255 -1.021989
H -2.247663 -0.292816 0.753454


