%chk=000173851.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173851

0 1
 O    3.020200       1.849600     -0.2244000    
 O   0.3192000       5.832300     -0.3082000    
 O  -0.1766000      -1.174700      -4.612300    
 O   -1.572900      -3.733700     -0.8323000    
 O    5.922400      -2.979000       2.631500    
 O   -7.013400      -1.923300       1.448500    
 C    1.136000      0.2921000     -0.1202000    
 C    2.644400      0.4614000     -0.4486000    
 C   0.7122000       1.719300     -0.2161000    
 C    1.833400       2.535200     -0.2501000    
 C   0.4271000     -0.6767000      -1.038000    
 C    3.520400     -0.4577000      0.3743000    
 C  -0.5592000       2.269600     -0.1979000    
 C    1.736400       3.913500     -0.2776000    
 C  -0.2535000      -1.771600     -0.5053000    
 C   0.4529000     -0.4763000      -2.418300    
 C  -0.6812000       3.660900     -0.2383000    
 C   0.4599000       4.477700     -0.2779000    
 C    3.879200      -1.709200     -0.1247000    
 C    3.968100     -5.2200001E-02   1.631200    
 C   -1.760200       1.454100     -0.1131000    
 C  -0.2015000      -1.370600      -3.265600    
 C  -0.9080000      -2.665900      -1.352500    
 C    4.686400      -2.556600      0.6341000    
 C    4.775600     -0.8995000       2.390000    
 C  -0.8821000      -2.465500      -2.732600    
 C    5.134900      -2.151800       1.891500    
 C   -2.332000       1.132800       1.046800    
 C   -3.563500      0.3289000       1.151800    
 C   -3.946800     -0.4671000      8.5400000E-02
 C   -4.311900      0.3864000       2.315800    
 C   -5.111900      -1.227500      0.1857000    
 C   -5.477000     -0.3740000       2.416300    
 C   -5.877100      -1.181100       1.351100    
 H    1.006700     -1.5699999E-02  0.9270000    
 H    2.867900      0.2806000      -1.508900    
 H    2.623800       4.536900     -0.2984000    
 H  -0.2795000      -1.935300      0.5692000    
 H   0.9695000      0.3767000      -2.851000    
 H   -1.667800       4.120900     -0.2287000    
 H    3.535200      -2.036900      -1.102100    
 H    3.692100      0.9139000       2.044400    
 H   -2.169000       1.173100      -1.078000    
 H    4.958600      -3.529900      0.2345000    
 H    5.119700     -0.5796000       3.369800    
 H   -1.392800      -3.162200      -3.392900    
 H   -1.898700       1.473700       1.984300    
 H  -0.6284000       6.051500     -0.3019000    
 H  -0.6794000      -1.886600      -5.044100    
 H   -1.969100      -4.243600      -1.559600    
 H    6.070700      -3.801500       2.133900    
 H   -3.375300     -0.5537000     -0.8327000    
 H   -4.013600       1.011200       3.153400    
 H   -5.410200      -1.856200     -0.6490000    
 H   -6.069000     -0.3334000       3.326500    
 H   -7.137400      -2.419900      0.6214000    


%chk=000173851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173851

0 1
O 3.118447 1.770705 -0.291211
O 0.460162 5.794855 0.261878
O -0.759799 -0.691701 -4.530885
O -0.763787 -4.243103 -1.102788
O 6.390153 -3.096218 2.352173
O -7.538975 -1.690991 1.554948
C 1.260853 0.150966 -0.094079
C 2.778013 0.321646 -0.531870
C 0.785840 1.601881 -0.015504
C 1.906540 2.458280 -0.121252
C 0.518721 -0.769553 -1.060342
C 3.758703 -0.563620 0.200519
C -0.501834 2.145916 0.236129
C 1.826862 3.853220 -0.033313
C 0.192240 -2.087072 -0.661428
C 0.192242 -0.323706 -2.363418
C -0.606131 3.569984 0.319545
C 0.534519 4.390835 0.184683
C 4.292401 -1.710915 -0.430362
C 4.128331 -0.287378 1.543217
C -1.654635 1.250998 0.418695
C -0.462609 -1.197606 -3.254212
C -0.463672 -2.949087 -1.567065
C 5.166968 -2.578805 0.259593
C 5.005857 -1.136723 2.240889
C -0.800516 -2.519566 -2.871749
C 5.521345 -2.287635 1.598051
C -2.939331 1.617648 0.726659
C -4.084715 0.717188 0.919362
C -4.002215 -0.701236 0.794757
C -5.355242 1.273815 1.254891
C -5.127919 -1.519035 0.999862
C -6.489830 0.469645 1.461221
C -6.375682 -0.933329 1.335324
H 1.236306 -0.310850 0.913223
H 2.854779 0.162604 -1.624243
H 2.698774 4.503119 -0.124328
H 0.446690 -2.458878 0.336007
H 0.414290 0.697441 -2.687278
H -1.583772 4.035540 0.492858
H 4.022409 -1.934279 -1.469394
H 3.745568 0.615785 2.030674
H -1.432999 0.184370 0.296446
H 5.571678 -3.466710 -0.243248
H 5.307178 -0.928482 3.271682
H -1.316070 -3.192978 -3.571073
H -3.171445 2.684892 0.855364
H -0.473624 6.086827 0.407674
H -1.238401 -1.360404 -5.080656
H -1.190924 -4.785874 -1.811018
H 6.702503 -3.869865 1.820469
H -3.050178 -1.176209 0.534416
H -5.448897 2.362050 1.356805
H -5.037457 -2.609166 0.902081
H -7.460448 0.902573 1.719668
H -7.353363 -2.658010 1.458052


