%chk=000102939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102939

0 1
 O    5.494800      0.9952000      0.1577000    
 O  -0.9274000      -2.901800     -0.7874000    
 N    2.913100      2.6200000E-02 -0.5477000    
 N  -0.9196000      -1.372800      -2.469000    
 C  -0.9257000     -0.5259000     -0.1228000    
 C  -0.9202000      -1.055600       1.385500    
 C   0.4655000      0.1764000     -0.3842000    
 C    1.697900     -0.7392000     -0.2772000    
 C   -2.144200      0.4132000     -0.3333000    
 C  -0.7680000      6.6799998E-02   2.446400    
 C  -0.9529000      -1.720100      -1.134900    
 C   -2.139500      -1.932500       1.735000    
 C    4.091800     -0.8516000     -0.5549000    
 C    3.088000       1.095600      0.4449000    
 C  -0.7199000     -0.4576000       3.878000    
 C   -3.299800     -0.1403000     -0.8050000    
 C   -1.987400       1.736000     -3.3799998E-02
 C    5.348500     -2.9300001E-02 -0.8263000    
 C    4.367800       1.872200      0.1489000    
 C   -4.394600      0.7031000     -0.9941000    
 C   -3.082300       2.579200     -0.2228000    
 C   -4.285900       2.062800     -0.7030000    
 H  -6.5200001E-02  -1.732500       1.498800    
 H   0.5605000       1.003800      0.3132000    
 H   0.4594000      0.6393000      -1.381200    
 H    1.765900      -1.202200      0.7121000    
 H    1.620400      -1.546000      -1.013600    
 H   -1.599300      0.7755000       2.393200    
 H   0.1570000      0.6264000       2.284100    
 H   -1.943400      -2.527300       2.633800    
 H   -2.412400      -2.645100      0.9560000    
 H   -3.023200      -1.316700       1.935400    
 H    4.192500      -1.361800      0.4120000    
 H    3.993300      -1.616100      -1.334000    
 H    2.289700       1.840100      0.4142000    
 H    3.137200      0.6773000       1.458500    
 H   -1.685600     -0.8605000       4.196900    
 H  -0.4679000      0.3579000       4.564300    
 H   4.1099999E-02  -1.236500       3.987500    
 H   -3.421900      -1.196100      -1.017700    
 H   -1.079500       2.179100      0.3520000    
 H    5.328200      0.4229000      -1.825400    
 H    6.233200     -0.6717000     -0.7717000    
 H    4.531800       2.630300      0.9216000    
 H    4.314400       2.389600     -0.8170000    
 H  -0.9074000      -2.085500      -3.190900    
 H  -0.9337000     -0.4086000      -2.784300    
 H   -5.333600      0.3004000      -1.362400    
 H   -2.999500       3.637600      6.8999999E-03
 H   -5.138900       2.719200     -0.8481000    


%chk=000102939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102939

0 1
O 5.723843 1.050110 -0.151830
O -0.444662 -2.878137 -0.768290
N 2.977319 0.103882 -0.382945
N -1.075204 -1.372173 -2.397704
C -0.892867 -0.531370 -0.047610
C -1.018822 -1.153807 1.410233
C 0.479763 0.224545 -0.223296
C 1.746448 -0.622367 0.028336
C -2.080902 0.414127 -0.355663
C -0.832476 -0.086700 2.523983
C -0.818539 -1.706410 -1.080106
C -2.325452 -1.956098 1.621503
C 4.134643 -0.817177 -0.543744
C 3.341533 1.208275 0.542831
C -0.830308 -0.671966 3.954748
C -3.341380 -0.118744 -0.753374
C -1.991548 1.824221 -0.204031
C 5.354771 -0.043694 -1.067465
C 4.576503 1.956886 0.014229
C -4.455955 0.714434 -0.985886
C -3.105029 2.663805 -0.436384
C -4.345452 2.115063 -0.828214
H -0.189075 -1.884650 1.482771
H 0.493765 1.095647 0.454115
H 0.544871 0.622518 -1.253594
H 1.801313 -0.929852 1.102686
H 1.694665 -1.553363 -0.563840
H -1.631545 0.677339 2.441084
H 0.128646 0.443266 2.375614
H -2.271535 -2.521934 2.567993
H -2.473817 -2.695428 0.816353
H -3.210421 -1.295909 1.673234
H 4.406006 -1.310916 0.423854
H 3.862313 -1.609928 -1.265782
H 2.499945 1.920958 0.619964
H 3.559404 0.819070 1.570895
H -1.818222 -1.076057 4.236936
H -0.566874 0.106824 4.694268
H -0.091080 -1.490483 4.048766
H -3.452399 -1.200067 -0.886728
H -1.047559 2.288807 0.095213
H 5.127403 0.371963 -2.073015
H 6.244425 -0.692467 -1.125264
H 4.911323 2.727405 0.728581
H 4.330201 2.431012 -0.960711
H -0.956527 -2.091688 -3.110594
H -1.440174 -0.457134 -2.658643
H -5.410040 0.268779 -1.289540
H -2.999354 3.747464 -0.310744
H -5.208787 2.764922 -1.008991


