%chk=000000659.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000659

0 1
 O   -2.636700     -0.5286000       2.162200    
 O   -2.829200       1.560200      0.3453000    
 O   -3.976500       1.100300      -2.187300    
 O    1.200800       2.383700      0.8034000    
 N   0.7901000      -2.159900     -0.3478000    
 N  -0.4041000      0.1853000      0.5546000    
 N    2.887800     -0.9698000     -0.4862000    
 N    3.096800       1.306100      8.9400001E-02
 N    4.940500      5.1800001E-02 -0.6594000    
 C   -2.594300     -0.8005000      0.7716000    
 C   -1.129200     -0.8857000      0.4259000    
 C   -3.340700      0.2736000     -9.8999999E-03
 C  -0.6158000      -2.232100     -4.7200002E-02
 C    1.543100      -1.017700     -0.2022000    
 C   0.9305000      0.1016000      0.2386000    
 C   -3.227400      8.8799998E-02  -1.520700    
 C    1.748400       1.359400      0.4015000    
 C    3.616000      0.1834000     -0.3318000    
 H   -3.069200      -1.772800      0.5985000    
 H   -4.397000      0.2846000      0.2836000    
 H  -0.7935000      -2.971800      0.7395000    
 H   -1.174900      -2.528100     -0.9404000    
 H    1.271000      -2.988500     -0.6802000    
 H   -3.614600     -0.8886000      -1.825000    
 H   -2.190900      0.1880000      -1.858000    
 H    3.317400      -1.827200     -0.8149000    
 H   -2.286000      -1.307700       2.627000    
 H   -2.901100       1.645900       1.311400    
 H   -3.881000      0.9428000      -3.142100    
 H    5.320000     -0.8304000     -0.9849000    
 H    5.579600      0.8358000     -0.5865000    


%chk=000000659-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000659

0 1
O -2.426065 0.216080 2.020266
O -3.341643 1.267964 -0.448011
O -5.085837 -0.321161 -1.978830
O 1.767832 2.192764 1.734673
N 0.805400 -1.713966 -0.941474
N -0.147925 0.178639 0.860831
N 3.056105 -0.988977 -0.538169
N 3.538454 0.918434 0.863863
N 5.284373 -0.330159 -0.081447
C -2.409190 -0.632872 0.831356
C -1.014608 -0.558778 0.210579
C -3.582264 -0.124614 -0.051114
C -0.615426 -1.309103 -1.063169
C 1.682851 -0.823974 -0.344777
C 1.207828 0.202747 0.477513
C -3.880905 -0.870190 -1.355388
C 2.143675 1.190989 1.067673
C 3.935034 -0.094887 0.121989
H -2.618173 -1.689382 1.116320
H -4.485132 -0.179016 0.594165
H -1.237410 -2.207047 -1.216941
H -0.754477 -0.645289 -1.943659
H 1.086730 -2.671725 -1.152231
H -4.103668 -1.933416 -1.159726
H -3.025028 -0.791103 -2.056760
H 3.393817 -1.587396 -1.295267
H -1.469257 0.537779 2.119750
H -3.119131 1.767508 0.381662
H -4.974137 0.666196 -1.984629
H 5.649266 -1.216892 -0.420740
H 5.918810 0.332749 0.359695


