%chk=000171360.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171360

0 1
 O    3.796000       1.225200     -0.5846000    
 C   0.1150000      0.5953000      0.2386000    
 C  -0.8396000     -0.4986000     -0.3735000    
 C   -2.365700     -0.3396000     -8.3999997E-03
 C    1.579200      0.3687000     -0.3270000    
 C  -0.3883000       2.007500     -0.1966000    
 C  -0.3064000      -1.933000     -0.1559000    
 C   -2.733900       1.142700      0.2549000    
 C   -1.874100       2.103100     -0.5480000    
 C   0.1507000      0.5322000       1.787100    
 C    1.113900      -2.103300     -0.6884000    
 C    2.035100      -1.069300     -9.5100001E-02
 C   -2.811200      -1.175500       1.210400    
 C   -3.207100     -0.8393000      -1.212800    
 C    2.596600       1.431100      0.1309000    
 C    3.139900      -1.447200      0.5685000    
 H  -0.7764000     -0.3362000      -1.462300    
 H    1.523300      0.4702000      -1.422900    
 H   0.1611000       2.354000      -1.081400    
 H  -0.1646000       2.738800      0.5910000    
 H  -0.9511000      -2.656400     -0.6681000    
 H  -0.3227000      -2.195600      0.9082000    
 H   -2.636200       1.388900       1.318500    
 H   -3.790400       1.320700      1.6500000E-02
 H   -2.215900       3.132600     -0.3877000    
 H   -2.006100       1.904400      -1.618800    
 H   0.8344000       1.279800       2.202300    
 H  -0.8199000      0.7433000       2.237800    
 H   0.4775000     -0.4444000       2.155600    
 H    1.116700      -1.999900      -1.780700    
 H    1.456400      -3.122300     -0.4716000    
 H   -2.215400     -0.9593000       2.100400    
 H   -3.858300     -0.9682000       1.462200    
 H   -2.739800      -2.251000       1.015200    
 H   -4.280900     -0.7545000      -1.008700    
 H   -2.998700     -0.2577000      -2.117400    
 H   -3.001100      -1.890800      -1.439000    
 H    2.813700       1.367700       1.201400    
 H    2.248600       2.444000     -8.8500001E-02
 H    3.823300     -0.7469000       1.031800    
 H    3.386400      -2.498300      0.6843000    
 H    4.429400       1.900000     -0.2866000    


%chk=000171360-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171360

0 1
O 3.702296 1.422756 -0.751927
C 0.113100 0.588656 0.282230
C -0.846041 -0.493008 -0.350784
C -2.388272 -0.332290 -0.011704
C 1.580011 0.343064 -0.289375
C -0.366459 2.020094 -0.176703
C -0.341210 -1.937674 -0.115283
C -2.739976 1.175053 0.211368
C -1.844944 2.091129 -0.642229
C 0.159410 0.513737 1.834768
C 1.090822 -2.134238 -0.665746
C 2.047269 -1.101653 -0.092195
C -2.846388 -1.145019 1.230502
C -3.196932 -0.844973 -1.239927
C 2.583683 1.393768 0.213774
C 3.204905 -1.470154 0.514378
H -0.768504 -0.317622 -1.448985
H 1.499894 0.506509 -1.388569
H 0.277668 2.381101 -1.002934
H -0.226551 2.729796 0.662582
H -1.023212 -2.658225 -0.607957
H -0.353504 -2.178532 0.964447
H -2.620773 1.444967 1.279675
H -3.809719 1.333664 -0.031266
H -2.195321 3.140197 -0.589994
H -1.925860 1.791930 -1.706519
H 0.850943 1.277035 2.238707
H -0.828484 0.709745 2.284393
H 0.514493 -0.470889 2.188022
H 1.060287 -2.024294 -1.771720
H 1.452598 -3.156828 -0.450487
H -2.256746 -0.902301 2.131613
H -3.906988 -0.915743 1.450793
H -2.772728 -2.234215 1.059779
H -4.280169 -0.860849 -1.014524
H -3.043037 -0.193498 -2.121277
H -2.898222 -1.871411 -1.524136
H 2.951843 1.137020 1.228841
H 2.103636 2.391387 0.259952
H 3.933302 -0.745388 0.890265
H 3.476056 -2.528810 0.611817
H 4.371222 2.088906 -0.452065


