%chk=000133782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133782

1 1
 O    1.068700      4.5699999E-02 -0.4601000    
 O   0.3055000      -2.041900       1.086300    
 O   -2.763100      0.4499000       1.248400    
 O  -0.5570000       1.051000      -1.723300    
 N   -1.072600     -0.7946000     -0.4015000    
 N   -5.069400       1.727700      0.3383000    
 N   -5.599500       2.454000      0.9420000    
 C   -2.475600     -0.8580000     -0.7929000    
 C   -2.867500      -2.292100     -0.4736000    
 C   -2.007100      -2.647900      0.7302000    
 C  -0.7548000      -1.831100      0.5151000    
 C   -3.252500      0.1536000     -9.1000004E-03
 C  -0.2100000      0.1789000     -0.9293000    
 C   -4.357100      0.7505000     -0.4742000    
 C    2.019800      0.9979000     -0.9495000    
 C    3.359800      0.7095000     -0.3391000    
 C    3.712700       1.312100      0.8632000    
 C    4.236500     -0.1580000     -0.9810000    
 C    4.958300       1.044100       1.430800    
 C    5.482200     -0.4261000     -0.4133000    
 C    5.842900      0.1749000      0.7926000    
 H   -2.562600     -0.6554000      -1.867200    
 H   -2.592000      -2.942100      -1.314200    
 H   -3.936000      -2.433100     -0.2821000    
 H   -1.774200      -3.715300      0.7575000    
 H   -2.475100      -2.346000       1.672000    
 H   -4.746600      0.5213000      -1.460000    
 H    1.694900       2.012800     -0.6886000    
 H    2.079300      0.9326000      -2.043100    
 H   -1.866800      9.1300003E-02   1.333700    
 H    3.030300       1.988900       1.370100    
 H    3.964800     -0.6335000      -1.919500    
 H    5.239000       1.511500       2.370200    
 H    6.170800      -1.103400     -0.9098000    
 H    6.812600     -3.4100000E-02   1.234800    


%chk=000133782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133782

1 1
O 0.780486 0.527503 1.426053
O -0.400891 -1.583779 2.889605
O -3.234460 0.932765 -0.065397
O -0.282867 0.980842 -0.620276
N -1.063726 -0.713972 0.754205
N -3.688024 1.257403 -2.710375
N -4.320707 2.161942 -3.076445
C -1.912959 -1.143152 -0.381908
C -2.852848 -2.228587 0.256998
C -2.016829 -2.801540 1.424134
C -1.061720 -1.681379 1.848679
C -2.668098 0.054137 -0.924446
C -0.138948 0.335994 0.465260
C -2.953362 0.203884 -2.287886
C 1.877594 1.592838 1.154401
C 3.021698 0.989931 0.390607
C 4.021412 0.247316 1.072674
C 3.119408 1.170253 -1.014367
C 5.100839 -0.313433 0.357959
C 4.203162 0.613261 -1.727476
C 5.193414 -0.129955 -1.042708
H -1.298228 -1.571545 -1.194244
H -3.134711 -2.987056 -0.488423
H -3.779834 -1.764306 0.638499
H -1.403882 -3.666377 1.107337
H -2.623167 -3.130446 2.282139
H -2.555413 -0.455450 -3.060182
H 2.136441 1.874121 2.185107
H 1.387401 2.422973 0.620060
H -2.911356 0.811965 0.871258
H 3.953135 0.111404 2.158582
H 2.351738 1.750004 -1.539951
H 5.872369 -0.880986 0.888248
H 4.283669 0.765064 -2.808977
H 6.037862 -0.556034 -1.594947


