%chk=000044280.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044280

0 1
 O   -1.230800      0.5422000       1.791600    
 C  -0.6215000     -0.6499000       1.155600    
 C   -1.437900       1.373200      0.5990000    
 C   0.5227000      7.7600002E-02  0.4713000    
 C  -3.5999999E-03   1.355300      0.1363000    
 C   -1.736600     -0.9021000      0.1693000    
 C   -2.247700      0.3695000     -0.1806000    
 C  -0.3768000      -1.690100       2.225600    
 C   -2.073800       2.694700      0.9607000    
 C    1.831000     -0.2752000      0.1253000    
 C   0.7455000       2.309800     -0.5126000    
 C   -2.242900      -2.058500     -0.3835000    
 C   -3.275300      0.5075000      -1.088400    
 C    2.610600      0.7129000     -0.5373000    
 C    2.060400       1.981600     -0.8393000    
 C   -3.288900      -1.927900      -1.300800    
 C   -3.798900     -0.6607000      -1.648900    
 C    2.411900      -1.534300      0.3784000    
 C    3.933900      0.4155000     -0.8997000    
 C    3.728900      -1.807500      6.3000000E-03
 C    4.489700     -0.8337000     -0.6285000    
 H   0.3948000      -1.358500       2.929200    
 H   -1.284600      -1.863300       2.815700    
 H  -7.4199997E-02  -2.652300       1.803200    
 H   -3.043700       2.544200       1.448300    
 H   -2.229800       3.320900      7.6200001E-02
 H   -1.449300       3.251600       1.668500    
 H   0.3369000       3.280700     -0.7669000    
 H   -1.849500      -3.034500     -0.1250000    
 H   -3.666100       1.479700      -1.364400    
 H    2.665500       2.729000      -1.350900    
 H   -3.715900      -2.817000      -1.757800    
 H   -4.611000     -0.5933000      -2.368400    
 H    1.852300      -2.326900      0.8619000    
 H    4.548300       1.158600      -1.404700    
 H    4.158300      -2.783800      0.2120000    
 H    5.514600      -1.046500     -0.9180000    


%chk=000044280-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044280

0 1
O -1.288240 0.561735 1.949632
C -0.647338 -0.635651 1.254964
C -1.470041 1.399664 0.693504
C 0.504854 0.103060 0.511894
C -0.017102 1.363196 0.171308
C -1.737844 -0.897981 0.187168
C -2.254830 0.378725 -0.163501
C -0.372393 -1.723910 2.276444
C -2.105121 2.738051 1.008045
C 1.828934 -0.271871 0.139245
C 0.739635 2.325258 -0.537068
C -2.227216 -2.065198 -0.406768
C -3.270059 0.513298 -1.115101
C 2.621664 0.724292 -0.576175
C 2.056618 2.002081 -0.894924
C -3.269863 -1.939867 -1.370151
C -3.783070 -0.671434 -1.718499
C 2.428775 -1.549392 0.416754
C 3.966021 0.398704 -0.961429
C 3.736631 -1.831295 0.021443
C 4.516305 -0.849269 -0.671164
H 0.458331 -1.443269 2.944618
H -1.278552 -1.875793 2.887099
H -0.128069 -2.683511 1.787722
H -3.096546 2.592377 1.468654
H -2.234314 3.335228 0.086757
H -1.471865 3.309335 1.707278
H 0.313660 3.301714 -0.791245
H -1.834471 -3.053365 -0.142229
H -3.673515 1.494435 -1.389346
H 2.677560 2.728740 -1.432196
H -3.679798 -2.838467 -1.844855
H -4.586632 -0.598008 -2.460018
H 1.849906 -2.310179 0.946682
H 4.556191 1.153195 -1.495631
H 4.175523 -2.810731 0.241887
H 5.542770 -1.085397 -0.972103


