%chk=000125313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125313

0 1
 O    1.766900       3.095100       1.489500    
 O    6.558500     -0.4174000      0.1923000    
 O    4.875200      0.9614000     -0.4545000    
 C    3.105300      -1.342700     -0.7529000    
 C    2.596000      -1.009800      0.6689000    
 C    1.073800     -0.8984000      0.8184000    
 C    4.643500      -1.445900     -0.7660000    
 C    2.505400      -2.655000      -1.267700    
 C   0.4778000      0.2207000      1.2900000E-02
 C   0.3308000       1.511000      0.3750000    
 C  -0.3139000       2.487400     -0.5931000    
 C   -1.616200       3.116000     -7.8199998E-02
 C   0.7962000       2.074700       1.694500    
 C   -2.660000       2.086700      0.2611000    
 C   -3.551100       1.486800     -0.5534000    
 C   -4.623300      0.5146000     -0.1028000    
 C    5.331000     -0.1672000     -0.3347000    
 C   -4.616400     -0.8573000     -0.7930000    
 C   -3.564500       1.845100      -2.019200    
 C   -3.404100      -1.690600     -0.4830000    
 C   -3.270300      -2.606300      0.4953000    
 C   -4.410900      -2.897400       1.432700    
 C   -2.029500      -3.411700      0.7580000    
 H    2.808300     -0.5364000      -1.435200    
 H    3.044300     -7.4500002E-02   1.022800    
 H    2.943400      -1.790100       1.359200    
 H   0.5895000      -1.838000      0.5368000    
 H   0.8293000     -0.7686000       1.879100    
 H    4.957700      -2.253100     -9.2900001E-02
 H    5.002300      -1.684700      -1.773600    
 H    2.943000      -2.927200      -2.234400    
 H    2.690800      -3.478600     -0.5700000    
 H    1.425400      -2.569800      -1.419900    
 H   0.1260000     -8.1200004E-02 -0.9728000    
 H   0.4021000       3.290100     -0.8101000    
 H  -0.5096000       2.003000      -1.558800    
 H   -1.419000       3.715700      0.8191000    
 H   -1.994800       3.835800     -0.8118000    
 H  -4.2900000E-02   2.506400       2.247900    
 H    1.249100       1.324400       2.347100    
 H   -2.691500       1.813900       1.315700    
 H   -5.597900      0.9855000     -0.2869000    
 H   -4.562300      0.3704000      0.9838000    
 H   -4.677900     -0.7365000      -1.881600    
 H   -5.535000      -1.393400     -0.5293000    
 H   -2.901200       2.665500      -2.298500    
 H   -3.267100      0.9801000      -2.620800    
 H   -4.575400       2.140900      -2.320500    
 H   -2.545100      -1.508600      -1.127100    
 H    2.516000       2.696300       1.014200    
 H    7.014400      0.4077000      0.4637000    
 H   -4.045100      -2.922600       2.465600    
 H   -4.843900      -3.876600       1.203000    
 H   -5.212700      -2.156200       1.415100    
 H   -1.267100      -3.234200     -6.8999999E-03
 H   -1.602900      -3.151500       1.731800    
 H   -2.260300      -4.481900      0.7499000    


%chk=000125313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125313

0 1
O 2.550517 2.998313 0.321627
O 6.517675 -0.066799 -0.661715
O 4.490568 1.030587 -0.556606
C 3.049238 -1.495228 -0.070716
C 2.718249 -0.921035 1.332475
C 1.199808 -0.681028 1.593261
C 4.571001 -1.446734 -0.343186
C 2.531879 -2.942147 -0.242817
C 0.502612 0.128323 0.504674
C 0.592014 1.472504 0.280405
C -0.165063 2.146193 -0.856979
C -1.444852 2.923059 -0.389868
C 1.462061 2.399009 1.117318
C -2.507677 2.012296 0.187044
C -3.746232 1.728271 -0.314517
C -4.661584 0.744661 0.412957
C 5.126899 -0.047608 -0.517658
C -4.876179 -0.613666 -0.335793
C -4.320545 2.329912 -1.586338
C -3.602049 -1.423634 -0.458466
C -3.407848 -2.743336 -0.169412
C -4.483177 -3.689670 0.337287
C -2.039096 -3.385563 -0.347917
H 2.550505 -0.849290 -0.820054
H 3.244356 0.043853 1.456929
H 3.113655 -1.608428 2.110471
H 0.685402 -1.655425 1.691371
H 1.099455 -0.184169 2.577953
H 5.141179 -1.941859 0.467899
H 4.823310 -2.008084 -1.265662
H 2.742988 -3.327390 -1.258215
H 3.009161 -3.625680 0.486178
H 1.439621 -2.996299 -0.087755
H -0.134889 -0.450172 -0.182259
H 0.516642 2.867524 -1.349570
H -0.467799 1.396143 -1.612238
H -1.143066 3.671119 0.372052
H -1.831654 3.497929 -1.250938
H 0.882067 3.273296 1.464662
H 1.864900 1.880020 2.009982
H -2.215711 1.500884 1.117222
H -5.659317 1.211100 0.556607
H -4.253552 0.528001 1.418169
H -5.282298 -0.399030 -1.347100
H -5.661242 -1.184758 0.193563
H -3.633166 3.039765 -2.074059
H -4.568131 1.543020 -2.325854
H -5.265793 2.866803 -1.369731
H -2.734880 -0.849247 -0.819846
H 3.135386 2.276420 -0.038341
H 6.851183 0.863504 -0.789089
H -4.165987 -4.170473 1.284261
H -4.656295 -4.509051 -0.389231
H -5.449262 -3.190415 0.515842
H -1.295490 -2.662793 -0.728795
H -1.664200 -3.795750 0.612062
H -2.085201 -4.235949 -1.057745


