%chk=000067385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067385

0 1
 I   -5.296800       2.275200      -1.122700    
 O   0.2551000      -2.166000      0.6562000    
 O   -4.738700      -1.304000     -3.9999999E-04
 O    6.153400      0.3317000      0.1194000    
 C   -2.377400     -0.6055000      7.0200004E-02
 C   -1.764400      0.7964000     -0.1189000    
 C  -0.2939000      0.8495000      0.3019000    
 C   0.5093000     -0.1117000     -0.6291000    
 C   -1.602500      -1.597500     -0.8178000    
 C   -3.816300     -0.3086000     -0.4096000    
 C   -2.778300       1.722600      0.5506000    
 C  -7.3100001E-02  -1.554300     -0.5886000    
 C   -4.144400       1.067300      0.2291000    
 C   0.2919000       2.259100      0.1997000    
 C   -2.407900      -1.111200       1.536100    
 C    2.015600     -2.7999999E-03 -0.3982000    
 C    1.716700       2.266000      0.7434000    
 C    2.570800       1.139500      0.2176000    
 C    2.893500     -0.9939000     -0.8731000    
 C    3.962300       1.232000      0.3976000    
 C  -0.1585000      -3.523800      0.6909000    
 C    4.274500     -0.8849000     -0.6975000    
 C    4.809100      0.2251000     -5.6600001E-02
 H   -1.792700       1.048900      -1.192400    
 H  -0.1924000      0.5263000       1.345300    
 H   0.3641000      0.2455000      -1.661100    
 H   -1.771000      -1.322400      -1.868800    
 H   -2.026400      -2.601200     -0.7195000    
 H   -3.845600     -0.2691000      -1.504900    
 H   -2.620300       1.741900       1.635500    
 H   -2.682500       2.752900      0.1941000    
 H   0.3890000      -2.141800      -1.391900    
 H   -4.727100      0.9577000       1.151300    
 H  -0.3058000       2.978400      0.7703000    
 H   0.2870000       2.595100     -0.8453000    
 H   -1.424100      -1.127400       2.007500    
 H   -3.036300     -0.4866000       2.179500    
 H   -2.817900      -2.125400       1.591000    
 H    1.686300       2.185600       1.837500    
 H    2.178900       3.229600      0.4969000    
 H   -4.901500      -1.212100      0.9528000    
 H    2.521000      -1.870100      -1.395500    
 H    4.379900       2.105300      0.8949000    
 H   7.2899997E-02  -4.048500     -0.2418000    
 H   -1.216300      -3.624600      0.9398000    
 H   0.4007000      -4.014900       1.493300    
 H    4.925900      -1.671800      -1.068600    
 H    6.346500       1.166000      0.5805000    


%chk=000067385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067385

0 1
I -5.427309 2.410534 -1.194246
O 0.257540 -2.103510 0.760751
O -4.906053 -1.273293 -0.180772
O 6.215945 0.185800 -0.040809
C -2.444006 -0.574151 0.065254
C -1.806134 0.841285 -0.091466
C -0.329306 0.879209 0.337692
C 0.456305 -0.090336 -0.599184
C -1.653337 -1.571112 -0.812525
C -3.891336 -0.260510 -0.450170
C -2.840443 1.792664 0.558001
C -0.118403 -1.533766 -0.547862
C -4.204956 1.137071 0.186060
C 0.301560 2.284297 0.266528
C -2.515660 -1.071725 1.534129
C 1.976335 -0.012167 -0.392383
C 1.736097 2.246205 0.830130
C 2.574149 1.110825 0.246736
C 2.833178 -1.026635 -0.895248
C 3.984551 1.184417 0.367464
C 0.232050 -3.562999 0.794819
C 4.232562 -0.959636 -0.776902
C 4.810379 0.158059 -0.136098
H -1.823794 1.065084 -1.184648
H -0.232892 0.516592 1.381834
H 0.248091 0.259423 -1.637982
H -1.809248 -1.319968 -1.882662
H -2.031735 -2.602314 -0.675746
H -3.879831 -0.194473 -1.551261
H -2.727905 1.819072 1.659561
H -2.755599 2.828097 0.194896
H 0.363198 -2.147339 -1.343466
H -4.888603 1.041849 1.046493
H -0.303710 3.009522 0.843169
H 0.313057 2.633094 -0.786917
H -1.506925 -1.215044 1.949664
H -3.075634 -0.380187 2.192093
H -3.016223 -2.058730 1.569249
H 1.681220 2.119115 1.931956
H 2.246349 3.213194 0.655926
H -5.029504 -1.356493 0.799333
H 2.402794 -1.902096 -1.393510
H 4.433153 2.059622 0.859589
H 0.881460 -3.993415 0.002823
H -0.793745 -3.970634 0.677545
H 0.624498 -3.852036 1.782740
H 4.882114 -1.748477 -1.166918
H 6.518007 1.003516 0.426940


