%chk=000049607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049607

0 1
 O   0.6051000     -0.7601000     -0.8218000    
 O   -4.625400      0.2929000      0.5617000    
 N    3.007900      0.2529000      0.2681000    
 N    4.456300       2.045700      0.4981000    
 N    5.374200      4.3299999E-02 -8.7499999E-02
 C    1.374700      -1.539400      9.2699997E-02
 C  -0.6864000     -0.5003000     -0.4799000    
 C    2.840600      -1.169700     -4.1600000E-02
 C   -1.298100      0.6771000     -0.9105000    
 C   -1.398200      -1.410800      0.3012000    
 C   -3.333400      3.3599999E-02  0.2209000    
 C   -2.621600      0.9441000     -0.5600000    
 C   -2.721800      -1.143800      0.6516000    
 C    4.215500      0.7207000      0.2206000    
 C   -5.189600       1.514100      8.6400002E-02
 H    1.073700      -1.351400       1.131800    
 H    1.241400      -2.601900     -0.1399000    
 H    3.162600      -1.360700      -1.072500    
 H    3.430400      -1.790400      0.6427000    
 H  -0.7473000       1.389500      -1.518700    
 H  -0.9688000      -2.350900      0.6345000    
 H   -3.034900       1.876800     -0.9281000    
 H   -3.273800      -1.859300       1.255100    
 H   -4.668800       2.385200      0.4983000    
 H   -6.221300       1.556800      0.4507000    
 H   -5.235800       1.537100      -1.007700    
 H    3.699800       2.675300      0.7431000    
 H    5.393300       2.432300      0.4672000    
 H    6.270900      0.5175000     -9.3000002E-02
 H    5.378600     -0.9434000     -0.3200000    


%chk=000049607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049607

0 1
O 0.824009 -0.454385 -0.287311
O -4.741236 0.274402 0.323309
N 3.614185 -0.313847 0.877842
N 4.778057 1.716980 0.986855
N 4.922005 0.515497 -1.016130
C 1.507757 -1.521779 0.461268
C -0.561017 -0.311977 -0.095208
C 3.001489 -1.420856 0.133892
C -1.175529 0.743581 -0.807959
C -1.350568 -1.144779 0.741205
C -3.349668 0.139911 0.136651
C -2.562504 0.973964 -0.698029
C -2.736706 -0.914475 0.851909
C 4.390353 0.563181 0.287160
C -5.406516 1.360863 -0.393159
H 1.361522 -1.380433 1.550276
H 1.100552 -2.508419 0.152768
H 3.087408 -1.361884 -0.978626
H 3.472814 -2.376706 0.447808
H -0.550521 1.378529 -1.443582
H -0.901977 -1.966163 1.307246
H -3.010245 1.798771 -1.260640
H -3.360926 -1.545290 1.492378
H -5.006186 2.349876 -0.093127
H -6.466608 1.289731 -0.107329
H -5.309252 1.243205 -1.491023
H 4.355606 1.819343 1.908270
H 5.716187 2.090416 0.848718
H 5.092498 1.389894 -1.509989
H 4.764818 -0.314350 -1.581944


