%chk=000049189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049189

0 1
 O  -0.2514000      0.4001000       2.395700    
 O  -0.2930000      0.4249000      -2.409200    
 O   -2.000000      -3.085900     -9.8000001E-03
 N   -1.119400      -1.320600       1.163600    
 N   -1.137400      -1.309900      -1.180300    
 C  -0.2011000      0.6416000     -5.9000002E-03
 C    1.290600       1.002000     -2.1000000E-02
 C    2.155800     -0.2509000      3.2099999E-02
 C   -1.051600       1.880800      1.2900000E-02
 C  -0.5108000     -8.4500000E-02   1.292200    
 C  -0.5324000     -7.1800001E-02  -1.306600    
 C    3.640100      0.1109000     -1.3700000E-02
 C   -2.533800       1.664600      9.0599999E-02
 C   -1.456900      -1.979700     -8.8000000E-03
 C    4.517000      -1.130900      4.4000000E-03
 C  -0.5157000       3.109400     -3.6200002E-02
 H    1.562600       1.622000      0.8446000    
 H    1.561500       1.558400     -0.9289000    
 H    1.964300     -0.8210000      0.9483000    
 H    1.929600     -0.9125000     -0.8121000    
 H    3.896600      0.7449000      0.8430000    
 H    3.857000      0.6871000     -0.9208000    
 H   -1.340100      -1.804300       2.029600    
 H   -1.371700      -1.785500      -2.047200    
 H   -2.898100       1.069000     -0.7518000    
 H   -2.821300       1.167800       1.022100    
 H   -3.078500       2.615400      6.0899999E-02
 H    4.309800      -1.770600     -0.8595000    
 H    4.349300      -1.716400      0.9140000    
 H    5.574100     -0.8489000     -2.7799999E-02
 H   -1.165300       3.980800     -1.9300001E-02
 H   0.5396000       3.337100     -9.7999997E-02


%chk=000049189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049189

0 1
O -0.246216 0.376884 2.452139
O -0.286649 0.353351 -2.430594
O -2.061799 -3.151508 0.042484
N -1.157856 -1.337880 1.207690
N -1.180851 -1.347568 -1.154920
C -0.219605 0.682963 0.008931
C 1.316438 0.982407 -0.005192
C 2.210383 -0.278071 -0.004466
C -1.101420 1.965905 0.009958
C -0.529644 -0.081774 1.317782
C -0.551801 -0.094061 -1.287381
C 3.712795 0.087953 -0.017842
C -2.602608 1.727777 0.028189
C -1.508300 -2.024482 0.032466
C 4.629918 -1.153572 -0.017300
C -0.572453 3.212714 -0.005044
H 1.543231 1.593673 0.887036
H 1.529167 1.582327 -0.908504
H 2.001619 -0.896091 0.892790
H 1.988080 -0.906627 -0.891119
H 3.940326 0.718991 0.865058
H 3.927182 0.708634 -0.911303
H -1.369867 -1.826626 2.084261
H -1.408966 -1.843811 -2.023195
H -2.936701 1.151096 -0.856438
H -2.917031 1.163478 0.927856
H -3.149958 2.684478 0.027637
H 4.442273 -1.785781 -0.905425
H 4.456070 -1.774759 0.881340
H 5.696855 -0.865589 -0.027312
H -1.226070 4.092343 -0.004177
H 0.502860 3.406627 -0.018304


