%chk=000158119.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158119

0 1
 I   -5.692000       2.726500      0.3703000    
 O  -0.6764000     -0.6823000      0.1749000    
 O   0.7769000      -1.602200       1.717100    
 C    2.079700      0.9455000     -8.1100002E-02
 C    2.943700     -0.1846000      0.3637000    
 C    1.599400     -0.4699000     -0.2148000    
 C    1.500700       1.810100      0.9880000    
 C    2.392100       1.684200      -1.339800    
 C    4.130000     -0.5558000     -0.4310000    
 C   0.5512000     -0.9902000      0.6819000    
 C    5.370800     -3.8199998E-02 -0.3504000    
 C    6.478400     -0.5308000      -1.239500    
 C    5.761100       1.051100      0.6081000    
 C   -1.792200      -1.131400      0.9505000    
 C   -3.062200     -0.7185000      0.2662000    
 C   -3.639100      0.5105000      0.5658000    
 C   -3.651700      -1.570600     -0.6612000    
 C   -4.820300      0.8925000     -7.0000000E-02
 C   -4.832900      -1.188700      -1.297100    
 C   -5.417200      4.2900000E-02  -1.001500    
 H    3.078800     -0.3359000       1.430300    
 H    1.557600     -0.8855000      -1.218200    
 H    1.374500       1.288700       1.943100    
 H    2.152200       2.670400       1.177700    
 H   0.5195000       2.191400      0.6848000    
 H    3.196000       2.409200      -1.172200    
 H    2.698000       1.027300      -2.161400    
 H    1.510800       2.235600      -1.686200    
 H    3.968100      -1.352600      -1.155900    
 H    6.867500      0.2905000      -1.850100    
 H    7.298100     -0.9342000     -0.6358000    
 H    6.146100      -1.322000      -1.919800    
 H    6.559200      0.7021000       1.271400    
 H    6.125200       1.924700      5.7500001E-02
 H    4.930200       1.382200       1.237900    
 H   -1.743700     -0.6948000       1.955900    
 H   -1.755200      -2.223000       1.055000    
 H   -3.164600       1.166500       1.291900    
 H   -3.204100      -2.531300     -0.9005000    
 H   -5.297300      -1.850100      -2.022600    
 H   -6.337800      0.3209000      -1.508600    


%chk=000158119-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158119

0 1
I -6.689379 1.176957 -0.978403
O -0.709646 0.062073 0.267840
O 0.669336 0.188058 2.149705
C 2.393668 2.146245 0.281627
C 3.004580 0.736130 0.248985
C 1.474816 0.926416 -0.051581
C 2.269421 2.836126 1.638583
C 2.649915 3.112294 -0.875216
C 3.918245 0.252119 -0.816988
C 0.499511 0.378950 0.916804
C 4.898365 -0.692478 -0.688136
C 5.765679 -1.074093 -1.876560
C 5.221740 -1.436289 0.595385
C -1.773562 -0.515113 1.157961
C -2.950688 -0.863086 0.280393
C -4.004416 0.070240 0.107186
C -3.015774 -2.113855 -0.382067
C -5.096620 -0.255711 -0.723186
C -4.114771 -2.426482 -1.210209
C -5.168458 -1.498556 -1.388579
H 3.168139 0.317694 1.248932
H 1.158405 0.845070 -1.095191
H 2.039797 2.119781 2.444411
H 3.218245 3.349495 1.884092
H 1.467354 3.598540 1.618693
H 3.630363 3.609501 -0.749688
H 2.648189 2.612897 -1.859494
H 1.870084 3.895892 -0.896645
H 3.785126 0.708330 -1.809051
H 6.837085 -0.884083 -1.664502
H 5.676530 -2.155718 -2.102509
H 5.492069 -0.510622 -2.785518
H 5.118337 -2.529391 0.444718
H 6.274164 -1.258686 0.894002
H 4.577037 -1.152459 1.442196
H -2.025562 0.238946 1.924405
H -1.350761 -1.398651 1.668638
H -3.960256 1.039271 0.614352
H -2.203404 -2.837822 -0.251364
H -4.163089 -3.393955 -1.721197
H -6.020713 -1.743776 -2.028523


