%chk=000019652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019652

0 1
 O    1.488700      -1.673500      0.3859000    
 O   0.5237000       2.922200     -0.4923000    
 O   -6.089300     -0.1386000      -1.877300    
 O    5.935800      0.4513000      0.3441000    
 O    6.372500      -1.791100      6.6399999E-02
 C  -0.7647000     -0.8202000      0.6227000    
 C   0.6210000     -0.6198000     -5.7599999E-02
 C   -1.737700      0.3688000      0.3749000    
 C    1.299600      0.7376000      0.2614000    
 C   -3.145000      0.1522000       1.050200    
 C   -3.747800      -1.211600      0.5813000    
 C    2.417000      0.8526000     -0.8286000    
 C   -1.407400      -2.165200      0.2242000    
 C   0.5973000     -0.6302000      -1.595000    
 C   -1.071800       1.690700      0.7759000    
 C   -2.785400      -2.378000      0.8438000    
 C   0.2672000       1.868800      9.2399999E-02
 C    1.907900      2.8500000E-02  -2.026900    
 C   -4.163800       1.276400      0.6940000    
 C    1.841600      0.8495000       1.697100    
 C   -3.031800      0.1586000       2.598400    
 C   -4.181400      -1.205000     -0.8967000    
 C   -4.552100       1.328200     -0.7752000    
 C    3.784600      0.3732000     -0.4349000    
 C   -5.062300     -2.0800000E-02  -1.210900    
 C    4.804600       1.295100      0.1048000    
 C    4.251200     -0.8703000     -0.5092000    
 C    5.627700     -0.8295000     -1.2900000E-02
 H  -0.5697000     -0.8878000       1.701300    
 H   -1.902500      0.4228000     -0.7074000    
 H   -4.657100      -1.399900       1.171000    
 H    2.540500       1.888300      -1.168900    
 H  -0.7657000      -2.996200      0.5395000    
 H   -1.488100      -2.238600     -0.8656000    
 H  -0.2390000     -5.3100001E-02  -2.001600    
 H   0.5359000      -1.642500      -2.008800    
 H  -0.9104000       1.764000       1.854800    
 H   -1.698000       2.538500      0.4798000    
 H   -3.214300      -3.310400      0.4560000    
 H   -2.672800      -2.529800       1.923700    
 H    2.603100     -0.7169000      -2.423900    
 H    1.700400      0.6998000      -2.870600    
 H   -3.791700       2.258600       1.004900    
 H   -5.082000       1.113300       1.276800    
 H    2.286400       1.835900       1.870500    
 H    1.044700      0.7318000       2.439000    
 H    2.592000      8.8000000E-02   1.929400    
 H   -2.759200       1.149500       2.976800    
 H   -3.991600     -0.1024000       3.060200    
 H   -2.292500     -0.5514000       2.976500    
 H   -4.742300      -2.120600      -1.118400    
 H   -3.331500      -1.167300      -1.584800    
 H    1.237400      -2.493200     -7.1000002E-02
 H   -3.710100       1.611800      -1.413300    
 H   -5.345700       2.069400     -0.9194000    
 H    5.086500       2.067500     -0.6167000    
 H    4.508700       1.761100       1.047400    
 H    3.772200      -1.770900     -0.8507000    


%chk=000019652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019652

0 1
O 1.438759 -1.862534 0.318780
O 0.645300 2.825547 -0.450763
O -6.290053 0.133894 -1.775414
O 6.083988 1.090776 0.195111
O 6.866125 -1.086095 0.600048
C -0.847867 -0.929158 0.542918
C 0.544150 -0.764309 -0.138265
C -1.760885 0.321958 0.363092
C 1.320242 0.551432 0.238137
C -3.158080 0.155640 1.077320
C -3.852539 -1.160460 0.568728
C 2.432362 0.698030 -0.890881
C -1.568668 -2.220591 0.072110
C 0.556179 -0.730672 -1.686271
C -1.007708 1.600701 0.829129
C -2.941188 -2.399203 0.758329
C 0.341120 1.754739 0.140554
C 1.996955 -0.286378 -2.031979
C -4.114698 1.354262 0.778780
C 1.864972 0.532822 1.693288
C -3.002102 0.089517 2.623636
C -4.344838 -1.067023 -0.910096
C -4.556155 1.486573 -0.702501
C 3.855456 0.492151 -0.436308
C -5.173835 0.181823 -1.193734
C 4.797163 1.667240 -0.239939
C 4.534760 -0.653652 -0.141938
C 5.929391 -0.344848 0.257278
H -0.632164 -1.046397 1.625876
H -1.960219 0.435875 -0.723512
H -4.757678 -1.302655 1.196581
H 2.344928 1.739782 -1.256170
H -0.946040 -3.110740 0.295277
H -1.700154 -2.194666 -1.027386
H -0.181978 0.006687 -2.057187
H 0.301473 -1.708650 -2.133328
H -0.839842 1.539918 1.922118
H -1.586672 2.516512 0.627295
H -3.447830 -3.296207 0.351776
H -2.789909 -2.587533 1.838730
H 2.663373 -1.164160 -2.044057
H 2.058202 0.195040 -3.023134
H -3.658432 2.304921 1.111670
H -5.022882 1.219697 1.401054
H 2.406285 1.468743 1.921483
H 1.052120 0.421895 2.431798
H 2.551303 -0.316882 1.820529
H -2.712479 1.071284 3.040515
H -3.966791 -0.186899 3.088495
H -2.253046 -0.650151 2.953583
H -4.946116 -1.957282 -1.166881
H -3.475714 -1.050032 -1.598848
H 1.066493 -2.721179 -0.007033
H -3.679966 1.726288 -1.339690
H -5.288776 2.302152 -0.828266
H 4.963973 2.232487 -1.176635
H 4.445572 2.370593 0.539027
H 4.148161 -1.671423 -0.156332


