%chk=000161779.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161779

0 1
 O    4.450600      -2.275900      0.1524000    
 O   -2.334400       2.087300     -0.7496000    
 O   -3.546900      -2.474200     -5.6400001E-02
 O   -4.184000      5.6699999E-02 -0.8771000    
 O  -0.5110000       3.123500       1.817500    
 C    2.169400      -2.442200     -0.6686000    
 C    3.317000      -1.500600     -0.2361000    
 C    1.586300      -3.274300      0.4910000    
 C    3.755300     -0.5483000      -1.379700    
 C   0.1484000      -3.772500      0.2187000    
 C  -0.9579000      -3.128400       1.087800    
 C    3.943500      0.9347000     -0.9511000    
 C   -1.380500      -1.740700      0.6701000    
 C    2.735300       1.634300     -0.3636000    
 C  -0.7706000      0.6133000      0.3081000    
 C   0.3619000       1.540800      0.2364000    
 C  -0.4994000     -0.6725000      0.8228000    
 C    1.452200       1.126200     -0.5480000    
 C   -2.629300      -1.476100      0.1023000    
 C   -2.025300      0.8602000     -0.2431000    
 C   -2.956200     -0.1813000     -0.3281000    
 C    2.870800       2.764400      0.4475000    
 C   0.5125000       2.663900       1.046100    
 C    1.759800       3.293900       1.120600    
 C   -2.051900       2.307900      -2.129600    
 C   -5.215500      0.4797000      9.8000001E-03
 H    2.534200      -3.134800      -1.437700    
 H    1.366600      -1.857600      -1.125600    
 H    3.001300     -0.9370000      0.6475000    
 H    1.629100      -2.722500       1.435500    
 H    2.237200      -4.147400      0.6297000    
 H    3.034000     -0.5807000      -2.205200    
 H    4.708200     -0.8925000      -1.802300    
 H   0.1377000      -4.846300      0.4496000    
 H  -0.1048000      -3.687100     -0.8448000    
 H  -0.6382000      -3.099700       2.137500    
 H   -1.826300      -3.797900       1.071600    
 H    4.272500       1.509400      -1.825600    
 H    4.756800      0.9677000     -0.2149000    
 H   0.4667000     -0.8514000       1.290300    
 H    1.297800      0.2919000      -1.224700    
 H    3.846200       3.221700      0.5931000    
 H    5.138100      -1.656800      0.4522000    
 H    1.899700       4.165100       1.756300    
 H   -4.329400      -2.111400     -0.5059000    
 H  -0.2073000       3.899700       2.318600    
 H  -0.9861000       2.178000      -2.339400    
 H   -2.330700       3.336600      -2.374200    
 H   -2.640700       1.630300      -2.755900    
 H   -4.964100       1.446400      0.4573000    
 H   -5.381800     -0.2643000      0.7953000    
 H   -6.138200      0.5915000     -0.5661000    


%chk=000161779-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161779

0 1
O 4.528731 -2.463257 0.090056
O -2.385569 2.121792 -0.625685
O -3.585339 -2.577515 -0.062316
O -4.300603 -0.078678 -0.763576
O -0.646739 3.241856 1.663774
C 2.254801 -2.478481 -0.712261
C 3.404501 -1.555776 -0.255816
C 1.670189 -3.369105 0.417603
C 3.843058 -0.497034 -1.321328
C 0.228238 -3.911089 0.138595
C -0.931905 -3.283801 0.984687
C 4.081389 0.937191 -0.768527
C -1.342449 -1.863361 0.612954
C 2.836048 1.636689 -0.214098
C -0.753543 0.560688 0.357269
C 0.399580 1.508168 0.338062
C -0.461571 -0.771052 0.763581
C 1.575841 1.011357 -0.276783
C -2.630066 -1.564030 0.101273
C -2.043655 0.826624 -0.166676
C -2.983918 -0.231331 -0.242935
C 2.889762 2.896530 0.436817
C 0.489368 2.763021 0.992260
C 1.727717 3.459458 1.010570
C -2.498665 2.213343 -2.099932
C -5.149267 0.890694 -0.024255
H 2.624035 -3.111874 -1.543297
H 1.443124 -1.855272 -1.131200
H 3.086525 -1.025277 0.669065
H 1.668471 -2.795394 1.366648
H 2.365543 -4.210476 0.589473
H 3.096779 -0.448925 -2.138104
H 4.776608 -0.865544 -1.788069
H 0.209181 -4.999110 0.345140
H -0.014262 -3.800958 -0.937419
H -0.628304 -3.309930 2.051208
H -1.818459 -3.935430 0.890465
H 4.531220 1.554455 -1.573185
H 4.847906 0.895644 0.035699
H 0.523563 -0.957473 1.200090
H 1.474406 0.065320 -0.807036
H 3.839805 3.440600 0.510251
H 5.257683 -1.927738 0.494606
H 1.791628 4.432563 1.516825
H -4.394113 -2.148267 -0.459112
H -0.458290 4.118612 2.082713
H -1.521353 1.995670 -2.570946
H -2.789972 3.254449 -2.308007
H -3.266405 1.514925 -2.482821
H -4.666093 1.882305 -0.014180
H -5.312995 0.540224 1.012075
H -6.103565 0.924699 -0.571897


