%chk=000100576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100576

0 1
 O  -0.2778000       2.232400     -0.7834000    
 O    5.657500     -0.5501000       1.205500    
 C   -2.656700       2.228500      0.7731000    
 C   -2.749300      -2.734600      0.2595000    
 C   -2.044100      0.9806000      0.2271000    
 C   -2.075700      -1.381900     -2.4800001E-02
 C   -2.654500     -0.2468000      0.4853000    
 C  -0.8755000       1.032400     -0.5324000    
 C  -0.3170000     -0.1433000      -1.033800    
 C  -0.9273000      -1.370800     -0.7758000    
 C   -3.411200       1.948300       2.108800    
 C   -3.683400       2.838300     -0.2300000    
 C   -1.651100       3.382300       1.095000    
 C   -4.033900      -2.626400       1.112000    
 C   -1.770400      -3.651500       1.024400    
 C   -3.141900      -3.409800      -1.072500    
 C   0.9341000     -0.1086000      -1.848400    
 C    2.202400     -0.2271000      -1.028900    
 C    2.727200      -1.481800     -0.7764000    
 C    2.805700      0.9225000     -0.5513000    
 C  -0.6861000       2.924200      -1.961100    
 C    3.894700      -1.590500     -2.0900000E-02
 C    3.973400      0.8135000      0.2041000    
 C    4.517800     -0.4429000      0.4692000    
 C    6.243100      0.6630000       1.676000    
 H   -3.575600     -0.2834000       1.043300    
 H  -0.4875000      -2.281200      -1.169700    
 H   -3.739500       2.882400       2.581500    
 H   -4.328100       1.366700       1.964500    
 H   -2.770900       1.427300       2.830400    
 H   -4.474700       2.115800     -0.4628000    
 H   -4.163500       3.728500      0.1929000    
 H   -3.226100       3.130000      -1.177000    
 H   -2.100300       4.092300       1.802600    
 H  -0.7436000       3.006100       1.581200    
 H   -1.387200       4.008600      0.2461000    
 H   -4.466700      -3.619600       1.287100    
 H   -3.837300      -2.195600       2.101000    
 H   -4.810800      -2.034300      0.6140000    
 H   -2.242100      -4.608400       1.277300    
 H  -0.8727000      -3.884500      0.4413000    
 H   -1.442500      -3.184600       1.960800    
 H   -2.272200      -3.639800      -1.697500    
 H   -3.665000      -4.357000     -0.8953000    
 H   -3.808400      -2.766600      -1.659400    
 H   0.9843000      0.7895000      -2.474200    
 H   0.9108000     -0.9220000      -2.588200    
 H    2.250000      -2.381500      -1.153600    
 H    2.397100       1.906600     -0.7581000    
 H   -1.525800       2.437500      -2.468800    
 H   0.1604000       2.948700      -2.654600    
 H  -0.9433000       3.961200      -1.736500    
 H    4.314100      -2.572100      0.1823000    
 H    4.406600       1.745000      0.5522000    
 H    5.576300       1.190300       2.366600    
 H    6.569900       1.299900      0.8469000    
 H    7.139600      0.3907000       2.242500    


%chk=000100576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100576

0 1
O -1.007612 2.874965 -1.283788
O 5.654211 -1.979687 0.347515
C -3.396213 2.536489 0.443678
C -1.976735 -2.425197 0.920520
C -2.422827 1.381917 0.080507
C -1.733863 -1.001489 0.362921
C -2.625734 0.073168 0.593304
C -1.262086 1.581371 -0.726240
C -0.299331 0.549485 -0.916892
C -0.561626 -0.729804 -0.381205
C -4.536360 2.065726 1.387633
C -4.066277 3.131964 -0.830952
C -2.602480 3.658186 1.183044
C -3.324020 -2.547941 1.678221
C -0.827586 -2.794429 1.907880
C -1.988962 -3.447949 -0.255170
C 1.014490 0.825353 -1.657078
C 2.225860 0.086231 -1.097906
C 2.952336 -0.840181 -1.890572
C 2.673632 0.317675 0.225598
C -1.141980 2.956816 -2.750184
C 4.084783 -1.509981 -1.387212
C 3.805699 -0.343060 0.751807
C 4.515784 -1.262592 -0.061317
C 6.136030 -1.759142 1.712000
H -3.515635 -0.108852 1.197336
H 0.189765 -1.513121 -0.531781
H -5.170290 2.934570 1.643439
H -5.185212 1.307103 0.911160
H -4.144830 1.649293 2.333848
H -4.565113 2.342868 -1.423986
H -4.831728 3.875397 -0.537125
H -3.326057 3.642717 -1.464723
H -3.277642 4.500375 1.428792
H -2.174211 3.274122 2.127721
H -1.781009 4.035930 0.553395
H -3.452304 -3.585790 2.037318
H -3.363174 -1.883070 2.561096
H -4.183644 -2.309917 1.024390
H -0.973975 -3.818686 2.300774
H 0.160695 -2.756267 1.415867
H -0.805930 -2.094082 2.763224
H -1.038961 -3.432800 -0.818494
H -2.138294 -4.474046 0.131190
H -2.806820 -3.221115 -0.963727
H 1.196080 1.917025 -1.625135
H 0.905181 0.555989 -2.727651
H 2.628460 -1.040433 -2.919558
H 2.123971 1.023103 0.860296
H -0.370592 2.358218 -3.268576
H -1.008138 4.021766 -2.998740
H -2.143359 2.615734 -3.075488
H 4.646680 -2.223346 -1.997882
H 4.120927 -0.135302 1.778913
H 5.371680 -2.043945 2.461578
H 6.433570 -0.703911 1.870482
H 7.016078 -2.411020 1.815037


