%chk=000085713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085713

0 1
 O   -2.083800      -2.510800      0.4036000    
 O  -0.4572000      -2.329400      -1.222000    
 O    2.063500     -0.2790000       2.244700    
 O   -4.844900       1.448900      -1.583700    
 N   0.9340000     -0.5964000      0.2441000    
 N   -3.762700       1.750500      0.4541000    
 N   -5.976800       1.116100      0.3857000    
 C   -1.281600      0.1558000       1.027800    
 C  -0.3184000      -1.013400      0.8202000    
 C   -1.558400      0.9200000     -0.2729000    
 C   -2.472600       2.122800     -5.8200002E-02
 C  -0.9221000      -2.028500     -0.1300000    
 C    2.037000     -0.2589000       1.017000    
 C    3.246300      0.1763000      0.2719000    
 C   -4.853700       1.441000     -0.3539000    
 C    4.164200       1.037100      0.8739000    
 C    3.464300     -0.2760000      -1.029500    
 C   -2.794500      -3.447800     -0.4120000    
 C    5.299700       1.445700      0.1745000    
 C    4.600000      0.1326000      -1.728700    
 C    5.517700      0.9934000      -1.126600    
 H  -0.8454000      0.8499000       1.757600    
 H   -2.221500     -0.2050000       1.461300    
 H  -0.1177000      -1.515700       1.773600    
 H   -2.017900      0.2517000      -1.010600    
 H  -0.6208000       1.285000     -0.7069000    
 H   -2.606200       2.655300      -1.006200    
 H   -2.025200       2.820000      0.6581000    
 H   0.9655000     -0.4874000     -0.7644000    
 H   -3.884100       1.706600       1.461200    
 H    4.010100       1.404000       1.885200    
 H    2.792600     -0.9715000      -1.523900    
 H   -3.694100      -3.754700      0.1281000    
 H   -2.177800      -4.332100     -0.5988000    
 H   -3.093600      -2.978100      -1.353900    
 H    6.014100       2.116500      0.6428000    
 H    4.774100     -0.2251000      -2.739400    
 H    6.402800       1.310300      -1.670600    
 H   -6.850000      0.8677000     -6.7000002E-02
 H   -5.964500       1.114400       1.400000    


%chk=000085713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085713

0 1
O -2.226688 -2.227544 0.289281
O -0.597511 -2.107539 -1.377118
O 1.820348 0.378103 2.099868
O -4.536039 0.199515 -1.145965
N 0.989155 -0.528868 0.136197
N -3.948799 1.702233 0.554959
N -5.905205 0.402766 0.730696
C -1.212625 0.421440 0.962900
C -0.319894 -0.836163 0.722666
C -1.640276 1.129680 -0.338206
C -2.734460 2.202392 -0.121538
C -1.027786 -1.796847 -0.238097
C 2.003898 0.031174 0.884985
C 3.334037 0.220728 0.197336
C -4.775369 0.743711 -0.019604
C 4.274708 1.073079 0.829988
C 3.690942 -0.422750 -1.017366
C -3.150412 -2.946453 -0.633472
C 5.541806 1.295436 0.252648
C 4.961865 -0.203610 -1.592710
C 5.888547 0.659488 -0.963059
H -0.645822 1.098548 1.627549
H -2.110587 0.077897 1.508218
H -0.169340 -1.327913 1.702981
H -2.039090 0.399856 -1.065263
H -0.769142 1.621245 -0.813690
H -3.015820 2.620961 -1.106470
H -2.343023 3.030605 0.498305
H 1.115587 -0.806964 -0.841252
H -4.164724 2.063572 1.483486
H 3.985743 1.539765 1.777432
H 3.004927 -1.119893 -1.513391
H -3.783829 -3.563326 0.019539
H -2.576855 -3.564711 -1.342595
H -3.746369 -2.185494 -1.165608
H 6.258836 1.959281 0.748078
H 5.230841 -0.710442 -2.525944
H 6.873686 0.828518 -1.412117
H -6.528975 -0.290222 0.326076
H -6.165884 0.850545 1.606478


