%chk=000005602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005602

0 1
 O    7.671000      0.4620000       1.021200    
 O    7.779600     -0.7256000     -0.9031000    
 C   -3.632000      -1.852500      9.8399997E-02
 C   -5.211300      0.7687000      5.7799999E-02
 C   -5.107700      -1.723900      0.5373000    
 C   -5.830900     -0.6198000     -0.2152000    
 C   -2.948300     -0.4825000      4.4999998E-03
 C   -3.679800      0.7306000     -2.2500001E-02
 C   -3.552500      -2.541000      -1.282200    
 C   -2.945600      -2.769500       1.138800    
 C   -5.819900       1.732100     -0.9892000    
 C   -5.621100       1.259400       1.464200    
 C   -1.540100     -0.4226000     -9.6799999E-02
 C   -2.964600       1.947500     -8.8000000E-02
 C  -0.8609000      0.7912000     -0.1802000    
 C   -1.573700       1.978500     -0.1674000    
 C   0.5902000      0.8122000     -0.2762000    
 C    1.193500       1.975600      -1.036800    
 C    1.409300     -0.1337000      0.2605000    
 C    2.877000     -0.1494000      0.1861000    
 C    3.499600     -0.7922000     -0.8739000    
 C    3.617100      0.4780000       1.177800    
 C    4.892600     -0.8081000     -0.9439000    
 C    5.010200      0.4624000       1.107900    
 C    5.648000     -0.1807000      4.6900000E-02
 C    7.100300     -0.1971000     -2.6300000E-02
 H   -5.169000      -1.527400       1.615100    
 H   -5.633900      -2.674000      0.3774000    
 H   -5.811100     -0.8414000      -1.289800    
 H   -6.891000     -0.6236000      6.9799997E-02
 H   -4.089800      -3.496300      -1.278900    
 H   -3.979200      -1.918600      -2.076300    
 H   -2.515400      -2.753500      -1.567700    
 H   -1.931400      -3.057100      0.8428000    
 H   -2.877500      -2.277500       2.116300    
 H   -3.509200      -3.700700       1.271900    
 H   -5.565400       2.779100     -0.7942000    
 H   -5.471200       1.489800      -2.000000    
 H   -6.914700       1.669400     -0.9892000    
 H   -5.180400      0.6458000       2.257500    
 H   -5.294500       2.290900       1.641800    
 H   -6.709800       1.238100       1.588800    
 H  -0.9831000      -1.355200     -0.1408000    
 H   -3.488700       2.899800     -6.8200000E-02
 H   -1.090600       2.950600     -0.2038000    
 H    1.207600       2.877600     -0.4152000    
 H   0.6215000       2.184400      -1.948700    
 H    2.219500       1.797200      -1.370800    
 H    1.001900     -0.9662000      0.8296000    
 H    2.922300      -1.284900      -1.652000    
 H    3.131500      0.9821000       2.009500    
 H    5.371000      -1.314300      -1.778200    
 H    5.557900      0.9635000       1.901100    
 H    8.650600      0.4495000      0.9695000    


%chk=000005602-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005602

0 1
O 7.621944 -0.911025 1.504918
O 7.934784 -0.267655 -0.704710
C -3.492811 -1.824320 0.246637
C -5.300814 0.711250 0.102618
C -4.946840 -1.741400 0.791695
C -5.820132 -0.751130 0.005812
C -2.934476 -0.404907 -0.011932
C -3.770293 0.752254 -0.101345
C -3.469618 -2.629235 -1.089145
C -2.638033 -2.587541 1.299136
C -6.039279 1.549194 -0.980691
C -5.637285 1.305399 1.505537
C -1.539476 -0.254451 -0.215669
C -3.148280 2.003522 -0.359822
C -0.916664 0.994144 -0.477217
C -1.763039 2.134563 -0.551850
C 0.564109 1.086450 -0.657818
C 1.085300 2.082373 -1.681152
C 1.381994 0.285939 0.115029
C 2.843808 0.123249 0.098503
C 3.678908 0.352776 -1.040326
C 3.475853 -0.345660 1.293259
C 5.068079 0.155776 -0.972048
C 4.864335 -0.536690 1.369601
C 5.678305 -0.280224 0.233863
C 7.147540 -0.467110 0.254757
H -4.916728 -1.445086 1.859060
H -5.394383 -2.754345 0.758523
H -5.856579 -1.052339 -1.060164
H -6.863222 -0.782339 0.377393
H -3.831997 -3.661184 -0.919586
H -4.106733 -2.160255 -1.860115
H -2.443790 -2.687098 -1.495937
H -1.623553 -2.821839 0.930316
H -2.538294 -2.000721 2.230578
H -3.127339 -3.548366 1.547950
H -5.841277 2.631693 -0.885359
H -5.740967 1.234497 -1.997394
H -7.131821 1.404260 -0.881395
H -5.179989 0.714980 2.319513
H -5.261260 2.340823 1.595608
H -6.732800 1.322479 1.661921
H -0.905120 -1.147555 -0.199151
H -3.767507 2.905843 -0.413244
H -1.341269 3.130312 -0.725680
H 0.412541 2.951223 -1.770240
H 1.133664 1.625151 -2.689624
H 2.091852 2.452460 -1.426007
H 0.883449 -0.288133 0.909321
H 3.232806 0.645747 -1.993503
H 2.854056 -0.546918 2.173908
H 5.703883 0.324157 -1.847724
H 5.332850 -0.883728 2.294684
H 8.609505 -1.012563 1.445711


