%chk=000160905.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160905

0 1
 O    3.808700      0.9015000     -0.5139000    
 O   -5.875500     -0.2757000      -1.019100    
 O    5.907800      9.4200000E-02 -0.6449000    
 C  -0.4624000      0.5054000     -0.2066000    
 C   -1.963800      0.4277000      0.2688000    
 C   0.4111000     -0.6585000      0.3610000    
 C    1.858800     -0.5582000     -0.1952000    
 C   -2.514900     -0.9765000     -0.1335000    
 C    2.513100      0.7981000      0.1346000    
 C   0.2020000       1.874500      5.0900001E-02
 C  -0.2271000      -2.023100      4.4199999E-02
 C   -1.689100      -2.114600      0.4685000    
 C    1.643900       1.921300     -0.4506000    
 C   -2.824800       1.488100     -0.4783000    
 C   -4.002100      -1.158300      0.1831000    
 C    2.799400      -1.673200      0.2571000    
 C   -2.074600      0.6836000       1.792700    
 C   -4.325000       1.364000     -0.2224000    
 C    2.759200       1.053800       1.634800    
 C   -4.811000     -4.7699999E-02 -0.4452000    
 C    4.159600      -1.514500     -0.4014000    
 C    4.706700     -0.1118000     -0.4846000    
 H  -0.4753000      0.3778000      -1.300700    
 H   0.4593000     -0.5721000       1.452500    
 H    1.793900     -0.6414000      -1.291600    
 H   -2.421100      -1.059400      -1.228000    
 H   0.1847000       2.118400       1.117600    
 H  -0.3521000       2.668200     -0.4608000    
 H   0.3170000      -2.825200      0.5545000    
 H  -0.1527000      -2.222800      -1.032400    
 H   -2.089800      -3.080500      0.1366000    
 H   -1.760800      -2.111400       1.562300    
 H    1.650200       1.853900      -1.547200    
 H    2.084100       2.900900     -0.2236000    
 H   -2.648700       1.395300      -1.558500    
 H   -2.520000       2.502900     -0.1986000    
 H   -4.201100      -1.172600       1.259000    
 H   -4.353800      -2.111500     -0.2293000    
 H    2.409100      -2.658600     -1.7800000E-02
 H    2.902400      -1.677500       1.347900    
 H   -1.799700       1.713800       2.042500    
 H   -3.091700      0.5383000       2.167200    
 H   -1.429200      2.3100000E-02   2.377000    
 H   -4.864400       2.032700     -0.9024000    
 H   -4.581200       1.657200      0.8006000    
 H    3.181300       2.055000       1.784100    
 H    1.850500      0.9809000       2.237100    
 H    3.499300      0.3624000       2.050800    
 H    4.105100      -1.886500      -1.431900    
 H    4.885700      -2.133700      0.1375000    


%chk=000160905-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160905

0 1
O 3.842230 0.958533 -0.517949
O -5.902958 -0.275748 -1.173924
O 5.905446 0.103904 -0.963343
C -0.467910 0.501096 -0.180818
C -1.974701 0.426103 0.285265
C 0.410270 -0.659103 0.399701
C 1.865742 -0.555982 -0.155921
C -2.522493 -0.985237 -0.131472
C 2.498692 0.821851 0.181519
C 0.188693 1.883094 0.081986
C -0.215795 -2.041372 0.078244
C -1.700904 -2.134163 0.487889
C 1.645530 1.946948 -0.428739
C -2.812473 1.491246 -0.489908
C -4.041931 -1.156640 0.143225
C 2.818857 -1.688699 0.283620
C -2.101816 0.677194 1.813298
C -4.344944 1.373845 -0.263264
C 2.788441 1.063906 1.677205
C -4.867402 -0.042290 -0.494529
C 4.188587 -1.542988 -0.418612
C 4.726562 -0.121333 -0.618936
H -0.481924 0.353966 -1.287091
H 0.454440 -0.555091 1.505107
H 1.788411 -0.596693 -1.266463
H -2.386608 -1.050277 -1.235448
H 0.164289 2.114195 1.164518
H -0.388339 2.679848 -0.421248
H 0.350378 -2.844504 0.585764
H -0.128627 -2.227926 -1.013778
H -2.116208 -3.106874 0.157335
H -1.794696 -2.114697 1.592641
H 1.665064 1.836589 -1.530379
H 2.100648 2.926385 -0.192607
H -2.603106 1.388380 -1.574712
H -2.501833 2.512256 -0.199850
H -4.226711 -1.151598 1.237935
H -4.401681 -2.127671 -0.242284
H 2.400129 -2.677047 0.026298
H 2.940543 -1.676897 1.383687
H -1.840701 1.722089 2.059574
H -3.130934 0.507464 2.175308
H -1.439346 0.019872 2.402286
H -4.898898 2.066974 -0.920228
H -4.583416 1.654792 0.783550
H 3.278296 2.045818 1.793258
H 1.863716 1.065591 2.278830
H 3.467443 0.301086 2.095159
H 4.125268 -1.965357 -1.441937
H 4.979682 -2.117138 0.094638


