%chk=000041014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041014

0 1
 O   -6.327600      0.9833000      0.1008000    
 O    4.579600     -0.1669000     -0.3828000    
 O    3.466000      0.6396000       1.456900    
 N   -3.307600      -1.098500     -7.2800003E-02
 N   -2.053600      0.9291000     -1.9700000E-02
 N  -0.8621000       1.583500     -6.5499999E-02
 N    1.514000       1.550900     -0.2575000    
 N    2.626200      0.8895000     -0.6890000    
 C   -4.513800     -0.4527000     -0.5452000    
 C   -2.068900     -0.4171000     -0.1189000    
 C   -5.164200      0.3251000      0.5861000    
 C   -3.382200      -2.442000      0.4601000    
 C  -0.9226000      -1.171800     -0.2663000    
 C   0.2896000     -0.5059000     -0.3131000    
 C   0.2873000      0.8774000     -0.2096000    
 C    5.618300     -0.6604000      0.4705000    
 C    3.547100      0.4721000      0.2439000    
 C    6.674700      -1.335300     -0.3782000    
 H   -4.304400      0.2083000      -1.396400    
 H   -5.223000      -1.194700     -0.9345000    
 H   -4.498800       1.081400       1.013100    
 H   -5.468400     -0.3439000       1.397700    
 H   -2.790700      -2.546000       1.376800    
 H   -4.413800      -2.705300      0.7208000    
 H   -3.039500      -3.175600     -0.2772000    
 H  -0.9272000      -2.251900     -0.3603000    
 H    1.192200      -1.096800     -0.4262000    
 H    1.540600       2.560800     -0.2155000    
 H   -6.046100       1.598600     -0.5976000    
 H    2.720400      0.7518000      -1.688800    
 H    5.196300      -1.381700       1.179100    
 H    6.064500      0.1743000       1.022400    
 H    7.485600      -1.725000      0.2434000    
 H    6.239500      -2.161100     -0.9506000    
 H    7.093200     -0.6309000      -1.104700    


%chk=000041014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041014

0 1
O -5.864058 1.355460 1.320966
O 4.627889 -0.163559 -0.332606
O 2.979217 0.814035 1.051090
N -3.442387 -1.128137 -0.239330
N -2.033061 0.723599 -0.620067
N -0.813929 1.271981 -0.896743
N 1.460495 1.167626 -1.375740
N 2.707148 0.563047 -1.284238
C -4.569538 -0.178571 -0.143785
C -2.160234 -0.651358 -0.490966
C -4.718612 0.434033 1.269503
C -3.665224 -2.553359 0.027617
C -1.022910 -1.517242 -0.614426
C 0.220421 -0.947644 -0.895813
C 0.283125 0.466227 -1.040885
C 5.501939 -0.360107 0.861725
C 3.389952 0.444394 -0.071495
C 6.802107 -0.975689 0.355384
H -4.395658 0.638728 -0.866538
H -5.504659 -0.699888 -0.418370
H -3.775013 0.940357 1.552230
H -4.952872 -0.343174 2.016616
H -3.083250 -2.913363 0.900706
H -4.732820 -2.711646 0.246812
H -3.402503 -3.184413 -0.846162
H -1.116811 -2.599088 -0.493233
H 1.119947 -1.561353 -0.994278
H 1.411054 2.183928 -1.252160
H -5.641798 2.166842 0.798329
H 3.175661 0.273128 -2.144758
H 4.973618 -1.017177 1.576115
H 5.658582 0.620790 1.345541
H 7.488046 -1.147410 1.204754
H 6.614711 -1.943556 -0.140301
H 7.302025 -0.305242 -0.364293


