%chk=000157295.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157295

0 1
 O   -4.981300       2.201400     -0.8642000    
 O    6.179200       2.019400      0.8722000    
 O    7.106000     -0.5582000      0.4053000    
 N   -5.527000      8.2699999E-02 -0.1523000    
 N   -3.294300      0.6147000     -0.6929000    
 N  -0.4823000     -5.5000000E-02 -0.5838000    
 N    1.728900      0.6310000     -0.1004000    
 N    1.252700      -1.653000     -0.7035000    
 N    2.978500      -3.247800     -0.8244000    
 C   -6.932600      0.3576000      1.6000001E-02
 C   -7.253800      0.7935000       1.439800    
 C   -7.781400     -0.8968000     -0.1529000    
 C   -7.360200     -0.5107000       2.225400    
 C   -7.740500      -1.587700       1.209200    
 C   -2.840800     -0.7436000     -0.3780000    
 C   -2.265200       1.552700      -1.135000    
 C   -4.628100       1.050200     -0.5921000    
 C   -1.466700      -1.070100     -0.9649000    
 C  -0.9454000       1.323800     -0.4020000    
 C   0.8690000     -0.3694000     -0.4599000    
 C    3.035000      0.3349000      2.0600000E-02
 C    3.516900     -0.9636000     -0.2125000    
 C    2.566900      -1.915000     -0.5732000    
 C    3.956000       1.314600      0.3837000    
 C    4.884700      -1.261500     -8.2900003E-02
 C    5.317700       1.026200      0.5148000    
 C    5.782800     -0.2631000      0.2813000    
 C    6.767100       2.777900     -0.1827000    
 C    7.558100     -0.9852000       1.689300    
 H   -7.228700       1.127600     -0.7045000    
 H   -8.223900       1.305400       1.459600    
 H   -6.508000       1.469500       1.869900    
 H   -7.431300      -1.553700     -0.9555000    
 H   -8.816900     -0.6132000     -0.3787000    
 H   -8.095000     -0.4331000       3.032900    
 H   -6.395200     -0.7582000       2.683200    
 H   -6.989500      -2.386000       1.213200    
 H   -8.705700      -2.046500       1.447300    
 H   -5.185700     -0.8072000      0.1907000    
 H   -2.819100     -0.8255000      0.7154000    
 H   -3.564800      -1.471200     -0.7584000    
 H   -2.138800       1.403200      -2.214300    
 H   -2.600300       2.584300     -0.9854000    
 H   -1.181500      -2.065600     -0.6052000    
 H   -1.523200      -1.117000      -2.059300    
 H  -0.2171000       2.041200     -0.7985000    
 H   -1.066900       1.521800      0.6697000    
 H    3.609500       2.329800      0.5713000    
 H    5.274900      -2.261400     -0.2518000    
 H    2.237600      -3.899700      -1.055400    
 H    3.869300      -3.399700      -1.280300    
 H    7.431800       3.524100      0.2611000    
 H    7.356600       2.131200     -0.8404000    
 H    5.994200       3.296200     -0.7592000    
 H    7.054500      -1.911200       1.984400    
 H    8.633100      -1.175600       1.627900    
 H    7.382700     -0.2064000       2.438200    


%chk=000157295-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157295

0 1
O -5.029058 2.213906 -0.715465
O 5.773296 2.027351 1.250442
O 6.737118 -0.710685 0.962060
N -5.423343 -0.027893 -0.209771
N -3.396671 0.615966 -1.256517
N -0.605772 0.099110 -1.414216
N 1.466821 0.725973 -0.526896
N 1.047556 -1.578025 -1.266128
N 2.646376 -3.256654 -1.150323
C -6.751337 0.260466 0.372319
C -6.654275 0.785542 1.830858
C -7.557722 -1.052114 0.539182
C -6.397814 -0.488886 2.681381
C -7.105880 -1.657304 1.910571
C -2.916757 -0.781753 -1.268671
C -2.489558 1.658208 -1.776218
C -4.635641 1.000292 -0.723028
C -1.556078 -0.864318 -1.989301
C -1.071720 1.492870 -1.202762
C 0.681572 -0.253687 -1.051282
C 2.754050 0.351629 -0.177679
C 3.249341 -0.996299 -0.350346
C 2.302481 -1.940297 -0.925842
C 3.640204 1.339013 0.355110
C 4.576822 -1.318624 0.050949
C 4.949667 1.013415 0.713200
C 5.420148 -0.343973 0.590567
C 6.986507 2.330744 0.453633
C 7.013644 -0.599148 2.414859
H -7.248835 0.993857 -0.284862
H -7.621970 1.249215 2.105313
H -5.872047 1.555433 1.932126
H -7.418536 -1.744837 -0.311299
H -8.632070 -0.796496 0.574352
H -6.776518 -0.381448 3.713052
H -5.311087 -0.680029 2.754890
H -6.415766 -2.510262 1.768919
H -7.974002 -2.046109 2.471964
H -5.082942 -0.988003 -0.178351
H -2.797981 -1.166157 -0.232081
H -3.633711 -1.442829 -1.802488
H -2.461819 1.634260 -2.884871
H -2.912975 2.631628 -1.479253
H -1.119822 -1.869079 -1.882954
H -1.698908 -0.671169 -3.072485
H -0.372241 2.198693 -1.688410
H -1.058206 1.725961 -0.121153
H 3.284540 2.366426 0.465482
H 4.984552 -2.332887 -0.029644
H 1.944893 -3.866916 -1.564078
H 3.576172 -3.614622 -0.958047
H 7.532958 3.090051 1.033220
H 7.605046 1.426268 0.314310
H 6.695450 2.745194 -0.529965
H 6.367499 -1.298490 2.979058
H 8.070214 -0.883351 2.535340
H 6.846634 0.433872 2.769126


