%chk=000001319.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001319

0 1
 O   -4.161400      6.1099999E-02  -1.727500    
 O   -3.532400      -1.896000       1.284600    
 O   -4.826600       2.034800      0.2096000    
 C   -1.416600      0.4411000      8.7499999E-02
 C   -4.224100     -0.2442000     -0.3346000    
 C   -3.237600      -1.367000     -7.1999999E-03
 C   -3.884900       1.000600      0.4803000    
 C   -2.485700       1.516900      0.1469000    
 C   -1.791000     -0.9173000      4.4000000E-03
 C  -3.4600001E-02  0.8002000      6.6100001E-02
 C   0.9483000     -0.2216000      6.6000000E-03
 C   0.5600000      -1.578300     -4.5200001E-02
 C  -0.7985000      -1.906600     -4.8900001E-02
 C    2.333800      0.1001000     -4.9999999E-03
 C   0.4231000       2.135300      9.6699998E-02
 C    2.749600       1.448900      3.5500001E-02
 C    3.307700     -0.9264000     -5.9200000E-02
 C    1.536400      -2.582000     -9.8499998E-02
 C    1.783000       2.454500      8.3400004E-02
 C    2.892700      -2.261000     -0.1040000    
 C    4.118300       1.756100      2.4200000E-02
 C    4.669500     -0.5910000     -6.8700001E-02
 C    5.071100      0.7418000     -2.7100001E-02
 H   -5.254400     -0.5513000     -0.1192000    
 H   -3.348500      -2.174500     -0.7419000    
 H   -3.945900      0.7738000       1.552000    
 H   -2.229600       2.260800      0.9116000    
 H   -2.502300       2.047300     -0.8143000    
 H   -1.099500      -2.952800     -9.6699998E-02
 H  -0.2771000       2.967000      0.1275000    
 H    1.250200      -3.631300     -0.1380000    
 H    2.073300       3.502800      0.1103000    
 H   -4.398500     -0.7461000      -2.215000    
 H   -4.443200      -2.236000       1.260900    
 H   -5.708900       1.693900      0.4350000    
 H    3.621300      -3.067900     -0.1463000    
 H    4.454500       2.790300      5.4900002E-02
 H    5.431200      -1.366800     -0.1097000    
 H    6.128400      0.9905000     -3.5500001E-02


%chk=000001319-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001319

0 1
O -4.122994 0.177015 -1.769667
O -3.592310 -1.910478 1.337253
O -4.819658 2.124816 0.354102
C -1.445459 0.443215 0.072593
C -4.247042 -0.217515 -0.362588
C -3.269836 -1.367449 -0.009291
C -3.891272 0.997754 0.506895
C -2.505793 1.533448 0.136112
C -1.814673 -0.928276 0.011583
C -0.055516 0.790696 0.052007
C 0.949945 -0.243434 0.004362
C 0.552230 -1.629354 -0.032636
C -0.827654 -1.937376 -0.040023
C 2.348246 0.093506 -0.008791
C 0.393114 2.169080 0.069674
C 2.760054 1.475036 0.017402
C 3.347321 -0.948407 -0.048476
C 1.571917 -2.656382 -0.072119
C 1.737627 2.495748 0.052607
C 2.915037 -2.330220 -0.077940
C 4.146520 1.790121 0.005204
C 4.722327 -0.590454 -0.058039
C 5.115120 0.765469 -0.031286
H -5.288962 -0.554238 -0.146621
H -3.391629 -2.180991 -0.761529
H -3.892783 0.634633 1.557256
H -2.231164 2.309195 0.872255
H -2.596111 2.030674 -0.848514
H -1.141277 -2.988332 -0.071752
H -0.350427 2.971134 0.087767
H 1.253882 -3.705423 -0.095476
H 2.049647 3.546853 0.064266
H -4.241960 -0.619344 -2.346718
H -4.440203 -2.423769 1.280126
H -5.741972 1.815888 0.543181
H 3.679503 -3.115564 -0.105757
H 4.456992 2.841328 0.024491
H 5.480453 -1.381937 -0.086884
H 6.179863 1.023034 -0.039530


