%chk=000121621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121621

0 1
 O   -5.717700      0.1353000       1.356000    
 O    4.174500      -1.476100     -0.1085000    
 O    4.671400      0.8732000       1.290500    
 N   -3.457500      0.2115000     -0.3029000    
 N   -1.000400      -2.577100     -0.1265000    
 C   -3.496700     -0.6944000      0.8452000    
 C   -4.769900      0.5843000     -0.8312000    
 C   -4.424300     -0.1198000       1.909300    
 C   -5.642500       1.102600      0.3058000    
 C   -2.294900      0.5376000     -0.9371000    
 C   -1.166800     -0.1779000      -1.089000    
 C   1.2100000E-02  0.3806000      -1.854900    
 C    1.260200      0.5094000      -1.013900    
 C    2.147300     -0.5527000     -0.9500000    
 C    1.493500       1.686900     -0.3222000    
 C    3.299600     -0.4341000     -0.1729000    
 C    3.548800      0.7451000      0.5294000    
 C    2.645700       1.805500      0.4548000    
 C   -1.078100      -1.502100     -0.5565000    
 C    3.963900      -2.436600      0.9247000    
 C    5.832200       1.398800      0.6499000    
 H   -2.523700     -0.8085000       1.331700    
 H   -3.859200      -1.676300      0.5195000    
 H   -5.229000     -0.3049000      -1.279700    
 H   -4.691400       1.349300      -1.612200    
 H   -4.545000     -0.8353000       2.728800    
 H   -4.023300      0.8090000       2.333100    
 H   -5.256200       2.046300      0.7095000    
 H   -6.659400       1.285500     -5.5500001E-02
 H   -2.375500       1.501800      -1.432300    
 H   0.2173000     -0.2664000      -2.719100    
 H  -0.2260000       1.360300      -2.291100    
 H    1.959200      -1.471800      -1.498500    
 H   0.7952000       2.517400     -0.3727000    
 H    2.832900       2.726500       1.000100    
 H    2.987600      -2.917700      0.8075000    
 H    4.034600      -1.964600       1.909700    
 H    4.742200      -3.200500      0.8462000    
 H    5.644000       2.414900      0.2892000    
 H    6.138600      0.7555000     -0.1810000    
 H    6.642500       1.432300       1.383200    


%chk=000121621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121621

0 1
O -5.822341 0.479439 1.428798
O 4.471308 -1.273140 -0.243368
O 4.521693 1.166361 1.383345
N -3.614532 0.206795 -0.410193
N -0.969941 -2.811222 0.107747
C -4.040696 -0.940988 0.423226
C -4.705949 1.173266 -0.672655
C -4.700207 -0.431060 1.719354
C -5.340606 1.633305 0.655327
C -2.413026 0.311805 -1.080416
C -1.294447 -0.509473 -1.118833
C -0.062689 -0.080465 -1.934669
C 1.159517 0.242930 -1.074384
C 2.273049 -0.628673 -1.045436
C 1.186517 1.404218 -0.259851
C 3.392337 -0.355680 -0.230493
C 3.429516 0.837016 0.546223
C 2.313099 1.702238 0.533960
C -1.162419 -1.752848 -0.429927
C 4.694209 -1.962565 1.050202
C 5.812001 1.354632 0.679518
H -3.178748 -1.577892 0.669904
H -4.771189 -1.553512 -0.145442
H -5.487716 0.693697 -1.299104
H -4.305747 2.043634 -1.222937
H -5.138329 -1.267366 2.287106
H -3.945919 0.090172 2.346787
H -4.596461 2.205447 1.250952
H -6.228590 2.260103 0.471004
H -2.347135 1.229732 -1.680142
H 0.201231 -0.882583 -2.649690
H -0.342638 0.804524 -2.538701
H 2.281992 -1.552086 -1.635306
H 0.323193 2.080485 -0.249185
H 2.356354 2.605462 1.151452
H 3.809613 -2.573606 1.310410
H 4.896904 -1.233943 1.856289
H 5.566887 -2.613621 0.888776
H 5.747861 2.223622 -0.002857
H 6.088057 0.450609 0.107927
H 6.549790 1.554032 1.471686


