%chk=000158626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158626

0 1
 O    3.889500      -1.420300      0.9352000    
 O    3.300500      -4.211000     -0.2461000    
 O    6.659900      -1.046500      0.9146000    
 N    2.184800     -7.7999998E-03  8.2999997E-02
 N   0.7801000       1.726500     -4.7499999E-02
 N  -0.1156000     -0.5010000      9.8899998E-02
 N    4.305000       1.178100      1.5200000E-02
 N    3.973300       3.590100     -0.1540000    
 N    1.798400       4.584800     -0.2409000    
 C    2.666700      -1.380800      0.1793000    
 C    3.985400      -3.077500     -0.7747000    
 C    2.959500      -2.037300      -1.162100    
 C    4.772900      -2.392400      0.3372000    
 C    6.001400      -1.657400     -0.1810000    
 C    2.964900       1.115800      1.0500000E-02
 C   0.8789000      0.4166000      4.3600000E-02
 C    2.076500       2.176200     -6.9100000E-02
 C    2.625600       3.451800     -0.1534000    
 C   -1.560600     -0.4268000      8.1400000E-02
 C    4.718300       2.461400     -7.1000002E-02
 C   -2.283900      -1.596300      0.1555000    
 C   -2.157400      0.8109000     -8.7000001E-03
 C   -4.310000     -0.2849000      4.8000000E-02
 C   -3.676800      -1.524300      0.1385000    
 C   -3.550400      0.8828000     -2.5500000E-02
 C   -5.754500     -0.2101000      3.1599998E-02
 C   -6.441900     -0.2579000      -1.181500    
 C   -6.460900     -9.0800002E-02   1.228700    
 C   -7.834800     -0.1860000      -1.197600    
 C   -7.853900     -1.9200001E-02   1.212600    
 C   -8.540800     -6.6799998E-02 -6.9999998E-04
 H    1.945600      -1.958100      0.7655000    
 H    2.053200      -2.451200      -1.614700    
 H    3.401100      -1.317800      -1.861700    
 H    4.598900      -3.420300      -1.611900    
 H    5.062100      -3.090100       1.131500    
 H    5.736300     -0.8767000     -0.8993000    
 H    6.696100      -2.356000     -0.6580000    
 H    2.869800      -3.959900      0.5879000    
 H   0.1531000      -1.482000      0.1316000    
 H    7.439800     -0.5866000      0.5601000    
 H    5.793000       2.609000     -7.4100003E-02
 H   -1.799800      -2.565600      0.2265000    
 H   -1.606100       1.740600     -6.7599997E-02
 H    2.221000       5.501000     -0.3023000    
 H   0.7924000       4.483800     -0.2417000    
 H   -4.253900      -2.444200      0.1969000    
 H   -4.028700       1.856900     -9.6299998E-02
 H   -5.907200     -0.3508000      -2.124000    
 H   -5.941200     -5.2299999E-02   2.183300    
 H   -8.369800     -0.2231000      -2.142100    
 H   -8.403900      7.3700003E-02   2.144500    
 H   -9.625400     -1.1000000E-02 -1.3100000E-02


%chk=000158626-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158626

0 1
O 2.465189 -2.350465 -0.795944
O 5.167768 -3.817456 -0.484560
O 1.026696 -2.600659 1.687343
N 2.659667 0.057986 -1.127231
N 1.060344 1.728581 -1.033447
N 0.369942 -0.576263 -0.581967
N 4.618127 1.446913 -1.784432
N 4.045201 3.827432 -2.000157
N 1.864418 4.663871 -1.624013
C 3.328926 -1.261591 -1.292635
C 4.570489 -2.704771 0.264162
C 4.658596 -1.354727 -0.492359
C 3.054711 -2.911357 0.463591
C 2.451774 -2.240050 1.700519
C 3.308967 1.266459 -1.450618
C 1.285183 0.397835 -0.910096
C 2.310838 2.269569 -1.374683
C 2.728482 3.598454 -1.663749
C -1.000517 -0.419792 -0.265384
C 4.899205 2.763688 -2.044485
C -1.721955 -1.596250 0.088149
C -1.681582 0.827977 -0.278124
C -3.788278 -0.284313 0.406903
C -3.086405 -1.522937 0.413745
C -3.048922 0.877835 0.054799
C -5.235200 -0.212531 0.753885
C -6.084036 0.770807 0.171318
C -5.814853 -1.125913 1.679579
C -7.453940 0.840258 0.502130
C -7.185586 -1.061494 2.007648
C -8.014594 -0.076558 1.421926
H 3.462534 -1.441553 -2.374606
H 5.540535 -1.316099 -1.147256
H 4.733773 -0.509044 0.209914
H 5.130869 -2.694846 1.211921
H 2.786378 -3.980642 0.463700
H 2.594028 -1.140248 1.665632
H 2.949219 -2.640151 2.608921
H 4.692260 -3.916101 -1.349808
H 0.764105 -1.526919 -0.506964
H 0.509689 -2.003708 2.283622
H 5.932629 2.990548 -2.322414
H -1.207205 -2.564119 0.092241
H -1.127259 1.731551 -0.537652
H 2.216078 5.591235 -1.850914
H 0.886265 4.516894 -1.387849
H -3.623740 -2.449394 0.644960
H -3.546000 1.854668 0.068581
H -5.674644 1.465962 -0.570504
H -5.180770 -1.874292 2.168743
H -8.087036 1.602221 0.033214
H -7.605061 -1.772698 2.728489
H -9.078804 -0.024606 1.677218


