%chk=000116295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116295

0 1
 O    5.738700     -0.3128000       1.266600    
 O    2.446900      -1.617400      -2.177800    
 O  -0.8211000       2.488000     -0.6886000    
 O   -2.012200      -1.852900      0.9456000    
 O   -2.662100      0.8042000      0.5123000    
 N    3.411800      -1.099400     -0.1141000    
 C    3.322500     -0.5548000       1.246300    
 C    4.712500      -1.677000     -0.4489000    
 C    4.506000      0.3641000       1.525100    
 C    5.830500     -0.7037000     -0.1059000    
 C    2.367600      -1.160200      -1.038600    
 C    1.051900     -0.6467000     -0.6335000    
 C   0.1308000      -1.499600     -3.0300001E-02
 C   0.7322000      0.6905000     -0.8541000    
 C  -0.5166000       1.178200     -0.4691000    
 C   -1.118000      -1.012000      0.3546000    
 C   -1.441900      0.3270000      0.1351000    
 C   0.2613000       3.416500     -0.6710000    
 C   -2.426600      -2.991200      0.1929000    
 C   -3.711200      0.7311000     -0.4504000    
 C  -0.2592000       4.752200     -0.2549000    
 C   -3.797900      -3.384000      0.6326000    
 C   -4.967800       1.245600      0.1694000    
 C   0.1654000       5.415800      0.8261000    
 C   -4.860500      -3.422200     -0.1789000    
 C   -6.083100      0.5206000      0.3094000    
 H    3.349100      -1.416700       1.923200    
 H    2.385700     -2.1100000E-02   1.416300    
 H    4.759500      -1.958300      -1.505300    
 H    4.809600      -2.589800      0.1506000    
 H    4.504100      0.6698000       2.575900    
 H    4.457400       1.272000      0.9119000    
 H    5.792800      0.1900000     -0.7402000    
 H    6.804000      -1.180600     -0.2555000    
 H   0.3918000      -2.540100      0.1467000    
 H    1.465400       1.318200      -1.353200    
 H   0.6807000       3.498200      -1.680300    
 H    1.052200       3.105200      2.4200000E-02
 H   -1.736200      -3.818500      0.3918000    
 H   -2.407700      -2.775400     -0.8834000    
 H   -3.830900     -0.3021000     -0.7965000    
 H   -3.459500       1.355900      -1.315400    
 H   -1.026700       5.205500     -0.8766000    
 H   -3.929200      -3.656900       1.676300    
 H   -4.966200       2.273300      0.5228000    
 H  -0.2525000       6.385400       1.073800    
 H   0.9297000       5.009600       1.479300    
 H   -5.832100      -3.717300      0.2021000    
 H   -4.783400      -3.159300      -1.228000    
 H   -6.138900     -0.5077000     -2.8600000E-02
 H   -6.965100      0.9538000      0.7685000    


%chk=000116295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116295

0 1
O 5.401039 -2.080414 1.376072
O 3.104115 0.340040 -1.986644
O -0.986792 3.118234 -0.226354
O -2.154491 -1.481165 0.328580
O -2.776917 1.231730 0.460838
N 3.223944 -1.339386 -0.376170
C 2.948043 -1.835358 0.991792
C 4.515072 -1.814400 -0.928858
C 4.150238 -1.528782 1.914823
C 5.668765 -1.505091 0.042655
C 2.559541 -0.289645 -1.019991
C 1.160473 0.053236 -0.576261
C 0.199332 -0.944482 -0.286109
C 0.795025 1.417387 -0.573200
C -0.529665 1.796762 -0.253405
C -1.127577 -0.568219 0.027683
C -1.507224 0.805001 0.061427
C -0.009092 4.175268 -0.578772
C -1.787942 -2.912161 0.427700
C -3.942169 0.775941 -0.362226
C -0.748384 5.485454 -0.557171
C -3.008774 -3.652405 0.903156
C -5.117061 1.618743 0.051679
C -0.307779 6.593594 0.085967
C -3.513620 -4.750203 0.289504
C -6.335605 1.115423 0.367682
H 2.784179 -2.931616 0.960875
H 2.043051 -1.352676 1.392266
H 4.674426 -1.309697 -1.896157
H 4.448902 -2.909169 -1.084847
H 4.015623 -2.005967 2.899927
H 4.247395 -0.428565 2.046874
H 5.808940 -0.406417 0.128231
H 6.608431 -1.972000 -0.294478
H 0.481586 -1.998587 -0.352293
H 1.552396 2.151467 -0.858180
H 0.390681 3.966136 -1.594488
H 0.832211 4.173051 0.142563
H -0.956729 -3.013489 1.158946
H -1.446889 -3.290328 -0.556840
H -4.118082 -0.300852 -0.196709
H -3.690012 0.946168 -1.430083
H -1.683905 5.506767 -1.131848
H -3.472391 -3.258189 1.817305
H -4.935588 2.701950 0.066111
H -0.859054 7.538737 0.038744
H 0.615856 6.589890 0.678050
H -4.382032 -5.281605 0.693094
H -3.073808 -5.151595 -0.632118
H -6.528006 0.035223 0.376042
H -7.176181 1.769261 0.624915


