%chk=000133154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133154

0 1
 I    4.985500     -0.6226000       2.557300    
 O   0.8966000       2.409000      0.6237000    
 O   -2.450600     -9.4200000E-02  0.2545000    
 O   -2.399300      -1.839300      -1.244500    
 O   -4.403100       1.265600      -1.353900    
 O   -3.901900      -1.811700       2.041000    
 O   0.9089000       1.684900      -1.556000    
 O    6.032200      -1.641400     -0.3644000    
 N   6.6000000E-02  0.3735000      0.1625000    
 N   -3.848400     -0.2939000      0.2798000    
 C  -0.3223000     -0.7743000     -0.6213000    
 C   0.3887000      -2.045600     -0.1399000    
 C    1.503700       3.639000      0.2124000    
 C    1.893400      -1.933400     -0.1879000    
 C   -1.832400     -0.9756000     -0.5817000    
 C   -6.072900     -9.7700000E-02 -0.2528000    
 C   -5.906500      -1.119200      0.8743000    
 C    2.855800       3.324400     -0.4261000    
 C    1.686400       4.501500       1.459300    
 C   0.5763000       4.328500     -0.7873000    
 C   -4.682500      0.4040000     -0.5346000    
 C   -4.431000      -1.140000       1.168900    
 C   0.6484000       1.505200     -0.3708000    
 C    2.593600      -1.451900      0.9183000    
 C    2.583400      -2.311500      -1.339700    
 C    3.984000      -1.348700      0.8728000    
 C    3.973800      -2.208000      -1.385100    
 C    4.674100      -1.726700     -0.2789000    
 H  -6.6399999E-02 -0.5771000      -1.669600    
 H   7.0799999E-02  -2.907800     -0.7411000    
 H   7.8699999E-02  -2.284700      0.8871000    
 H  -0.1271000      0.3635000       1.159600    
 H   -6.488500     -0.5621000      -1.151900    
 H   -6.711700      0.7344000      5.6899998E-02
 H   -6.459000     -0.8168000       1.768700    
 H   -6.235800      -2.114100      0.5608000    
 H    3.414800       2.599900      0.1778000    
 H    2.797600       2.919400      -1.439400    
 H    3.462500       4.234400     -0.5056000    
 H    2.311600       3.987600       2.198500    
 H   0.7224000       4.689000       1.946200    
 H    2.149200       5.465500       1.224600    
 H   0.5978000       3.905500      -1.794800    
 H  -0.4645000       4.295900     -0.4446000    
 H   0.8574000       5.381900     -0.9053000    
 H    2.047000      -1.162100       1.813000    
 H    2.048500      -2.685800      -2.208400    
 H    4.496600      -2.505900      -2.290100    
 H    6.319200      -1.949600      -1.241000    


%chk=000133154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133154

0 1
I 4.725341 -0.389921 2.697431
O 0.943919 2.594078 0.351532
O -2.655263 -0.133108 0.241876
O -2.618383 -1.446998 -1.728463
O -4.954183 1.370455 -0.752991
O -3.583279 -2.577435 1.426983
O 1.256848 1.515105 -1.744015
O 5.872928 -1.472696 -0.095610
N -0.142337 0.663691 -0.066101
N -4.020802 -0.509428 0.360123
C -0.498522 -0.537027 -0.805120
C 0.121023 -1.856424 -0.188427
C 1.886239 3.758320 0.056966
C 1.635880 -1.798279 -0.167079
C -2.001321 -0.763486 -0.908501
C -6.363772 -0.476640 0.205209
C -5.915852 -1.779787 0.923914
C 3.308486 3.215057 -0.183204
C 1.801081 4.566260 1.362883
C 1.342293 4.557447 -1.143937
C -5.083398 0.288121 -0.153124
C -4.386751 -1.740797 0.968501
C 0.742643 1.593259 -0.596220
C 2.321294 -1.282496 0.962269
C 2.398675 -2.213843 -1.285917
C 3.726293 -1.178512 0.973648
C 3.802778 -2.116414 -1.280257
C 4.481242 -1.593449 -0.150177
H -0.105448 -0.412105 -1.830346
H -0.231901 -2.707025 -0.800012
H -0.291614 -1.988337 0.828717
H -0.540360 0.842652 0.856265
H -6.923501 -0.671532 -0.724936
H -6.996232 0.168568 0.838333
H -6.300740 -1.857272 1.955021
H -6.227596 -2.692962 0.389460
H 3.631100 2.582514 0.662937
H 3.353701 2.622451 -1.110384
H 4.013287 4.062569 -0.268381
H 2.148002 3.959794 2.217255
H 0.762012 4.883804 1.556637
H 2.437044 5.466381 1.288649
H 1.375827 3.955636 -2.065786
H 0.300761 4.874442 -0.958136
H 1.958148 5.463739 -1.290360
H 1.751894 -0.959278 1.839102
H 1.892962 -2.614908 -2.171857
H 4.381026 -2.443118 -2.154200
H 6.289532 -1.780164 -0.938869


