%chk=000176679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176679

0 1
 O    2.578000     -0.7782000       2.142800    
 O  -0.6261000       1.136700      -1.481000    
 N   -1.252900       1.669500      0.6909000    
 N    2.064500      0.4976000       1.944200    
 C   -2.674700       1.463900      0.5345000    
 C    1.102000       1.761600      0.1063000    
 C   -3.009000      1.7000001E-02  0.1480000    
 C  -0.3392000       1.487400     -0.3381000    
 C   -3.165100       2.432200     -0.5578000    
 C   -3.344500       1.824700       1.873300    
 C    1.713600      0.4982000      0.6758000    
 C    1.927500       2.357800      -1.053900    
 C    1.950700     -0.6820000     -4.9999999E-03
 C   -4.122500     -0.2139000     -0.6230000    
 C   -2.180200     -0.9865000      0.5887000    
 C    2.509400      -1.479600      0.9784000    
 C    3.288800       2.820200     -0.6161000    
 C    1.784300      -1.206900      -1.295100    
 C   -4.426400      -1.529100     -0.9746000    
 C   -2.484100      -2.301600      0.2370000    
 C    2.927700      -2.792000      0.7800000    
 C   -3.607100      -2.572900     -0.5447000    
 C    2.195400      -2.526300      -1.530900    
 C    2.756400      -3.302200     -0.5110000    
 C    4.433600       2.404300      -1.168600    
 H    1.060600       2.523500      0.8994000    
 H  -0.9046000       1.935200       1.607900    
 H   -2.744400       3.434300     -0.4008000    
 H   -2.885100       2.126700      -1.572100    
 H   -4.253500       2.563100     -0.5386000    
 H   -3.128800       2.861100       2.159100    
 H   -2.986300       1.180500       2.685600    
 H   -4.433400       1.710700       1.820700    
 H    2.010200       1.650400      -1.887000    
 H    1.393100       3.228700      -1.456300    
 H   -4.801600      0.5602000     -0.9580000    
 H   -1.315500     -0.8080000       1.218900    
 H    3.333900       3.552000      0.1865000    
 H    1.351000     -0.6256000      -2.101800    
 H   -5.304100      -1.741800      -1.578000    
 H   -1.849100      -3.115000      0.5762000    
 H    3.360900      -3.385200       1.576000    
 H   -3.845000      -3.597200     -0.8164000    
 H    2.075300      -2.953100      -2.523500    
 H    3.065100      -4.322500     -0.7256000    
 H    5.385000       2.783900     -0.8126000    
 H    4.443400       1.682300      -1.977500    


%chk=000176679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176679

0 1
O 2.705488 -0.044735 2.468463
O -0.906923 1.896932 -1.591730
N -1.101872 1.498295 0.700046
N 2.181290 1.225463 1.893116
C -2.581200 1.271311 0.743608
C 1.139290 2.017483 -0.193507
C -2.952079 0.034328 -0.112220
C -0.387431 1.788792 -0.441871
C -3.305895 2.565985 0.296307
C -2.927547 0.971259 2.229169
C 1.729869 0.919624 0.658148
C 1.896234 2.201218 -1.540236
C 1.901617 -0.489249 0.347080
C -4.085233 0.013160 -0.960612
C -2.176134 -1.148388 0.003139
C 2.519893 -1.042057 1.500206
C 3.301859 2.724062 -1.342515
C 1.584903 -1.329686 -0.750968
C -4.435215 -1.156954 -1.673072
C -2.520283 -2.317284 -0.707314
C 2.866167 -2.399569 1.620689
C -3.657222 -2.328949 -1.548637
C 1.920637 -2.694203 -0.652363
C 2.556149 -3.217877 0.513547
C 4.426774 2.139805 -1.824504
H 1.231102 2.959292 0.386949
H -0.589985 1.449361 1.586008
H -2.955673 3.411953 0.913737
H -3.091018 2.787429 -0.761385
H -4.397356 2.475565 0.436465
H -2.673475 1.834022 2.873705
H -2.387508 0.078386 2.593417
H -4.007561 0.772718 2.327728
H 1.913930 1.252010 -2.103397
H 1.296766 2.907544 -2.146584
H -4.694142 0.912769 -1.090049
H -1.284621 -1.152342 0.641501
H 3.389417 3.660512 -0.768259
H 1.079875 -0.938361 -1.639266
H -5.312700 -1.149020 -2.329782
H -1.901402 -3.216370 -0.605076
H 3.345387 -2.793633 2.520363
H -3.928069 -3.235194 -2.101953
H 1.690139 -3.369064 -1.483094
H 2.805807 -4.283709 0.553363
H 5.417448 2.578091 -1.660943
H 4.387701 1.203376 -2.395217


