%chk=000178302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178302

0 1
 O   -2.022000      0.5666000      -1.526300    
 O    3.702200      0.1162000       1.504800    
 O   -1.908900       2.674600     -0.5559000    
 O    4.472100      -2.041800       1.254900    
 O   -5.233900     -0.5224000       1.099000    
 C  -1.4000000E-02   1.078000     -0.3065000    
 C    1.176200      0.5041000      -1.186900    
 C   0.5671000       2.127000      0.7311000    
 C  -0.7978000     -1.6799999E-02  0.4399000    
 C    2.298600      8.1799999E-02 -0.2900000    
 C   -1.146200       1.652200      -1.191700    
 C    1.686800       1.505900       1.603200    
 C    2.830000      0.9693000      0.7540000    
 C   0.8922000     -0.6119000      -2.228000    
 C   -1.907600     -0.4558000     -0.5185000    
 C    2.859500      -1.120700     -0.2470000    
 C    1.110400      -2.051700      -1.725800    
 C    1.067400       3.426500      7.6899998E-02
 C    2.496900      -2.267300      -1.105700    
 C    3.776800      -1.108700      0.8931000    
 C   -3.205100     -0.7685000      0.1783000    
 C   -3.620800      -2.026400      0.6655000    
 C   -4.215700      0.1143000      0.4635000    
 C   -4.864100      -1.824600       1.218100    
 H    1.545300       1.351000      -1.782600    
 H  -0.2311000       2.420700       1.425500    
 H   -1.242900      0.3940000       1.356200    
 H  -0.1847000     -0.8627000      0.7657000    
 H  -0.7606000       2.078000      -2.123000    
 H    1.271500      0.7041000       2.228400    
 H    2.076800       2.245700       2.313700    
 H    3.428400       1.781100      0.3271000    
 H    1.591000     -0.4632000      -3.064700    
 H  -9.9399999E-02 -0.5112000      -2.674800    
 H   -1.609300      -1.362400      -1.053100    
 H   0.9742000      -2.752500      -2.558000    
 H   0.3514000      -2.310500     -0.9815000    
 H    1.873400       3.254700     -0.6412000    
 H   0.2645000       3.950500     -0.4483000    
 H    1.449400       4.112300      0.8413000    
 H    3.246100      -2.372800      -1.899000    
 H    2.494400      -3.200300     -0.5317000    
 H   -2.088500       2.396900      0.3571000    
 H   -3.086800      -2.964900      0.6232000    
 H   -4.363100       1.170800      0.2930000    
 H   -5.577700      -2.470100       1.709200    


%chk=000178302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178302

0 1
O -1.919258 0.400350 -1.608236
O 3.780187 0.052042 1.561266
O -2.022251 2.500942 -0.431330
O 4.625767 -2.113745 1.204141
O -5.434897 -0.315244 0.681430
C -0.000423 0.965561 -0.265918
C 1.214058 0.551457 -1.209609
C 0.509897 1.985979 0.817287
C -0.702824 -0.260695 0.404730
C 2.347383 0.115549 -0.327623
C -1.160179 1.556979 -1.136564
C 1.620687 1.353620 1.712337
C 2.823603 0.938649 0.842617
C 0.981001 -0.513614 -2.333371
C -1.894335 -0.637816 -0.530531
C 2.957965 -1.102612 -0.331549
C 1.250471 -1.988696 -1.919830
C 0.952933 3.351064 0.229316
C 2.668450 -2.198506 -1.321303
C 3.885368 -1.187454 0.827945
C -3.235219 -0.684194 0.166555
C -3.584271 -1.485478 1.329559
C -4.381187 0.006124 -0.196464
C -4.915198 -1.234870 1.608181
H 1.502541 1.494740 -1.720464
H -0.354795 2.199395 1.476060
H -1.081391 0.023479 1.403706
H -0.010308 -1.105799 0.544686
H -0.815719 2.106546 -2.025733
H 1.239808 0.453810 2.230567
H 1.935370 2.074832 2.487711
H 3.403695 1.826611 0.527708
H 1.675611 -0.268097 -3.161333
H -0.041627 -0.416254 -2.736885
H -1.707180 -1.593805 -1.054239
H 1.124319 -2.633664 -2.809516
H 0.498896 -2.326279 -1.181401
H 1.786035 3.266314 -0.492115
H 0.105698 3.845627 -0.274155
H 1.293428 4.016613 1.043996
H 3.429750 -2.183303 -2.126925
H 2.756239 -3.188465 -0.836812
H -2.627422 1.999772 0.177075
H -2.928572 -2.157319 1.881483
H -4.619585 0.682624 -1.010434
H -5.610117 -1.583673 2.366482


