%chk=000159359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159359

0 1
 I    2.988900      -2.949600     -0.5504000    
 O   -1.524700     -0.5020000       1.077200    
 O   -1.621200       2.252900      -1.214800    
 O   -3.749700       1.298900      0.1962000    
 O   -2.157800      -3.164500      0.4616000    
 O    1.002500       2.680400      0.6187000    
 N   0.5017000      0.4521000      0.3013000    
 N    2.751800       1.302500      0.1921000    
 N    4.563400     -6.0899999E-02 -0.2386000    
 C   -1.606100      0.8909000     -0.8372000    
 C   -2.996400      0.3563000     -0.5663000    
 C  -0.9104000      0.6622000      0.4954000    
 C   -2.708200     -0.8439000      0.3240000    
 C   -2.421700      -2.119100     -0.4575000    
 C   0.9904000     -0.8181000      3.2900002E-02
 C    1.403800       1.539500      0.3825000    
 C    2.286500      -1.078100     -0.1562000    
 C    3.207100      0.1008000     -6.0800001E-02
 H   -1.141600      0.3132000      -1.645600    
 H   -3.566500      0.1277000      -1.470400    
 H   -1.062800       1.504600       1.180300    
 H   -3.505900      -1.023900       1.053700    
 H   -1.562800      -2.021100      -1.125600    
 H   -3.294500      -2.400400      -1.055700    
 H  -0.6970000       2.543200      -1.297800    
 H   -3.310300       1.437800       1.051600    
 H   0.2674000      -1.619400     -1.5500000E-02
 H   -1.989900      -3.968500     -5.8899999E-02
 H    5.195800      0.7296000     -0.1753000    
 H    4.972200     -0.9683000     -0.4358000    


%chk=000159359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159359

0 1
I 3.200372 -3.174660 0.439734
O -1.538928 -0.572432 1.163516
O -1.905023 2.504783 -0.649947
O -3.927023 1.166286 0.419699
O -1.692351 -3.137722 0.093874
O 0.774180 2.540425 -0.298030
N 0.536594 0.296400 0.312174
N 2.682189 1.170676 -0.347666
N 4.557584 -0.193291 -0.428414
C -1.697627 1.074347 -0.619786
C -3.069034 0.367632 -0.438790
C -0.895694 0.611450 0.639784
C -2.692044 -0.939762 0.284332
C -2.309820 -2.062955 -0.692198
C 1.056123 -0.967510 0.465442
C 1.346664 1.410233 -0.131067
C 2.397617 -1.196338 0.206299
C 3.215762 -0.068074 -0.192835
H -1.188902 0.716999 -1.538110
H -3.559521 0.181872 -1.416742
H -0.891402 1.407429 1.407340
H -3.487135 -1.272461 0.969315
H -1.605189 -1.692021 -1.468586
H -3.236986 -2.409331 -1.196648
H -0.981593 2.901113 -0.557088
H -3.646691 2.115057 0.281794
H 0.347509 -1.736318 0.793273
H -1.592833 -3.944841 -0.470344
H 5.071363 0.644365 -0.697697
H 5.035841 -1.086550 -0.327528


