%chk=000153912.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153912

0 1
 I   0.1561000       4.242600     -0.3664000    
 O    2.390000     -0.4129000      0.5004000    
 O   -2.438400     -0.3625000      0.4937000    
 O    3.719700      -1.490900      -1.051000    
 O   -3.785700      -1.412600      -1.061700    
 C  -2.1900000E-02 -0.1824000      0.4403000    
 C  -6.0000001E-03   1.358900      0.5840000    
 C    1.229200     -0.7363000     -0.2522000    
 C   -1.282300     -0.7100000     -0.2558000    
 C   0.1444000       2.125000     -0.7322000    
 C    3.577400     -0.8541000     -1.5900001E-02
 C   -3.633200     -0.7788000     -2.6200000E-02
 C    4.707600     -0.4419000      0.8779000    
 C   -4.757000     -0.3441000      0.8650000    
 H  -3.1099999E-02 -0.5651000       1.471200    
 H  -0.9221000       1.679500       1.096600    
 H   0.8199000       1.633200       1.254000    
 H    1.321500     -0.3517000      -1.274000    
 H    1.153600      -1.829600     -0.3110000    
 H   -1.363200     -0.3066000      -1.271700    
 H   -1.230400      -1.803800     -0.3248000    
 H  -0.6780000       1.889900      -1.414600    
 H    1.081200       1.863800      -1.233000    
 H    4.578600     -0.8877000       1.867300    
 H    4.745300      0.6481000      0.9482000    
 H    5.652100     -0.7970000      0.4558000    
 H   -4.770900      0.7462000      0.9380000    
 H   -4.641100     -0.7950000       1.853600    
 H   -5.707700     -0.6770000      0.4389000    


%chk=000153912-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153912

0 1
I 0.035112 4.223419 -0.305106
O 2.424972 -0.437732 0.512209
O -2.430688 -0.360925 0.484837
O 3.798920 -1.438303 -1.081073
O -3.816383 -1.333360 -1.115742
C -0.000601 -0.305145 0.432485
C 0.016050 1.242245 0.622674
C 1.243142 -0.845425 -0.294305
C -1.252456 -0.819296 -0.299407
C 0.007528 2.032380 -0.692126
C 3.676350 -0.808090 -0.008427
C -3.686835 -0.695058 -0.048738
C 4.786522 -0.338379 0.904423
C -4.792368 -0.175589 0.842507
H -0.006494 -0.741480 1.450893
H -0.865624 1.520997 1.225136
H 0.915876 1.503739 1.205910
H 1.354922 -0.443290 -1.318542
H 1.228953 -1.949102 -0.366537
H -1.339279 -0.433208 -1.332256
H -1.271304 -1.923957 -0.351344
H -0.905971 1.886020 -1.287594
H 0.901088 1.867611 -1.312642
H 4.668404 -0.782941 1.907733
H 4.743259 0.757997 1.024273
H 5.759281 -0.627881 0.482261
H -4.710041 0.919511 0.953172
H -4.705917 -0.614608 1.851492
H -5.768816 -0.432951 0.408236


