%chk=000115374.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115374

0 1
 O   -5.297600      -1.621600      -1.790800    
 O   -5.775800       2.705500     -4.2300001E-02
 N    2.570800     -0.4368000       1.796500    
 N   -2.724200      -1.716200     -0.2671000    
 N  -0.6687000      -2.028900      0.8365000    
 N   -3.878700       1.490800      0.5404000    
 N   -1.987800     -2.1700000E-02  0.9806000    
 N   -5.558200      0.5482000     -0.9284000    
 C    3.578300      0.3388000       1.056300    
 C    1.467500     -0.8045000      0.9508000    
 C    4.110000     -0.4992000     -0.1208000    
 C   0.4359000      -1.638600       1.691700    
 C    2.936500       1.649000      0.5997000    
 C   -1.736300      -1.243500      0.5578000    
 C   -3.661300     -0.7287000     -0.3724000    
 C    2.117100      0.3354000       2.963600    
 C   -3.186200      0.2959000      0.4000000    
 C    5.462600     -5.0799999E-02 -0.6201000    
 C   -4.886800     -0.6911000      -1.102700    
 C   -2.768700      -3.013100     -0.9046000    
 C   -5.114700       1.664600     -0.1311000    
 C    5.534000      0.9030000      -1.622800    
 C    6.607500     -0.6013000     -6.6799998E-02
 C   -3.332000       2.553700       1.374800    
 C   -6.828300      0.7083000      -1.629000    
 C    6.783400       1.317400      -2.084300    
 C    7.856900     -0.1870000     -0.5284000    
 C    7.944900      0.7724000      -1.537000    
 H    4.413300      0.5640000       1.732900    
 H    1.791600      -1.415200      0.1008000    
 H   0.9421000      5.9700001E-02  0.5296000    
 H    3.412400     -0.4927000     -0.9692000    
 H    4.204900      -1.553700      0.1765000    
 H   2.3100000E-02  -1.116900       2.562100    
 H   0.9088000      -2.552000       2.073900    
 H    2.503900       2.248700       1.404500    
 H    2.190800       1.524500     -0.1913000    
 H    3.713800       2.291800      0.1681000    
 H  -0.5588000      -2.939800      0.4002000    
 H    2.952500      0.8401000       3.463900    
 H    1.708100     -0.3440000       3.720200    
 H    1.344500       1.077800       2.733900    
 H   -2.314500      -3.764600     -0.2551000    
 H   -3.803000      -3.316200      -1.070600    
 H   -2.230700      -2.945300      -1.853000    
 H    4.636200       1.331700      -2.058600    
 H    6.549800      -1.346900      0.7210000    
 H   -3.984200       3.430600       1.386700    
 H   -2.353600       2.846700      0.9818000    
 H   -3.222000       2.181400       2.398000    
 H   -7.102000     -0.1700000      -2.217800    
 H   -6.755400       1.577800      -2.290100    
 H   -7.611500      0.9061000     -0.8902000    
 H    6.851900       2.063900      -2.870200    
 H    8.761400     -0.6108000     -0.1018000    
 H    8.917700       1.095000      -1.896300    


%chk=000115374-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115374

0 1
O -5.922868 -1.300586 -1.761583
O -6.280821 2.043814 1.555138
N 2.273465 0.273892 1.037140
N -2.942714 -1.571517 -0.838142
N -0.624121 -1.869298 -0.169550
N -4.196931 0.990563 1.305947
N -2.110694 -0.250649 0.853545
N -6.074047 0.377431 -0.081822
C 3.621763 0.673524 0.532514
C 1.327447 -0.274128 0.041809
C 4.443383 -0.589492 0.127048
C 0.524230 -1.454272 0.655823
C 3.595054 1.738885 -0.596337
C -1.839868 -1.241291 -0.055969
C -4.000498 -0.736826 -0.397224
C 1.645915 1.283943 1.916285
C -3.446200 0.041847 0.629638
C 5.926349 -0.304844 -0.064055
C -5.356562 -0.628421 -0.835391
C -3.020514 -2.599268 -1.883020
C -5.558795 1.188753 0.962863
C 6.505029 -0.216010 -1.356005
C 6.765525 -0.102694 1.063968
C -3.592458 1.796028 2.382693
C -7.497099 0.602932 -0.419952
C 7.880019 0.070704 -1.520054
C 8.139259 0.184460 0.906678
C 8.702410 0.273767 -0.388304
H 4.139043 1.117620 1.407528
H 1.882641 -0.634924 -0.843451
H 0.601467 0.492029 -0.317296
H 4.025134 -1.022201 -0.803138
H 4.294207 -1.331697 0.934161
H 0.135407 -1.153130 1.642160
H 1.192416 -2.320375 0.806564
H 3.054176 2.647193 -0.274205
H 3.097586 1.346792 -1.503668
H 4.621515 2.035205 -0.874946
H -0.480665 -2.533247 -0.928962
H 2.319535 1.512360 2.761704
H 0.701539 0.887786 2.328767
H 1.400199 2.241485 1.395105
H -2.810790 -3.602783 -1.467225
H -4.044890 -2.587403 -2.288483
H -2.311381 -2.384734 -2.705061
H 5.873438 -0.375143 -2.239163
H 6.338561 -0.182149 2.072092
H -4.372980 2.465084 2.773270
H -2.747642 2.385288 1.987453
H -3.218084 1.137034 3.184164
H -7.752163 -0.094412 -1.231482
H -7.650471 1.645816 -0.743041
H -8.130753 0.419235 0.463236
H 8.308649 0.132900 -2.526929
H 8.771232 0.332895 1.789831
H 9.768617 0.493928 -0.512663


