%chk=000124455.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124455

0 1
 I    1.995500       3.612600      0.2427000    
 O  -0.4659000      -2.133200     -0.1823000    
 O    2.236600      -1.812600      0.2063000    
 O    3.322900      0.6849000      0.3935000    
 O   -2.867300     -1.8800000E-02  0.7890000    
 O   -2.739000     -1.1800000E-02  -1.509300    
 C  -0.7662000      0.2425000     -0.1946000    
 C  -0.2204000       1.522600     -0.1001000    
 C   5.9400000E-02 -0.8770000     -9.1600001E-02
 C    1.430900     -0.7165000      0.1060000    
 C    1.151100       1.683300      9.7499996E-02
 C    1.976800      0.5637000      0.2006000    
 C   -1.136500       2.703100     -0.2154000    
 C   -2.199900      6.1099999E-02 -0.4005000    
 C  -0.2897000      -2.989600      0.9433000    
 C    2.797600      -2.315200      -1.003800    
 C   -4.285900     -0.1991000      0.7187000    
 H   -1.112100       3.297200      0.7047000    
 H  -0.8494000       3.328600      -1.067700    
 H   -2.187700       2.451000     -0.3770000    
 H    3.540900       1.631800      0.4360000    
 H   0.5571000      -3.660600      0.7750000    
 H   -1.190500      -3.602500       1.043100    
 H  -0.1545000      -2.430200       1.875700    
 H    3.407700      -3.189500     -0.7609000    
 H    3.437700      -1.562300      -1.474300    
 H    2.008200      -2.622200      -1.697100    
 H   -4.674400     -0.2433000       1.739600    
 H   -4.521500      -1.138700      0.2105000    
 H   -4.748200      0.6469000      0.2017000    


%chk=000124455-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124455

0 1
I 2.269503 3.584879 -0.130016
O -0.711620 -2.037295 -0.194081
O 2.071326 -1.945385 0.190134
O 3.384439 0.524460 0.159953
O -2.824255 -0.455918 0.858764
O -3.069602 0.744075 -1.117231
C -0.830172 0.381699 -0.161040
C -0.204908 1.663538 -0.217408
C -0.055337 -0.807039 -0.058489
C 1.357445 -0.748991 0.037267
C 1.207870 1.692802 -0.108233
C 1.996967 0.522063 0.032853
C -1.004943 2.946309 -0.340683
C -2.322874 0.255955 -0.235531
C -0.657634 -2.944971 0.975740
C 3.061194 -2.262364 -0.867412
C -4.288852 -0.692253 0.838728
H -0.814351 3.609379 0.523458
H -0.709472 3.504599 -1.248041
H -2.083939 2.754701 -0.411509
H 3.727451 1.461387 0.157567
H 0.388883 -3.155224 1.252880
H -1.162172 -3.865864 0.646388
H -1.209624 -2.487714 1.817103
H 3.467338 -3.246522 -0.589859
H 3.863075 -1.505961 -0.884154
H 2.559505 -2.322114 -1.851018
H -4.498997 -1.226515 1.775872
H -4.561555 -1.302533 -0.038546
H -4.831388 0.267018 0.795842


