%chk=000048963.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048963

0 1
 O    1.281200      0.1955000      0.6177000    
 O    1.741000       1.694300      -1.056000    
 N   -2.963400      0.1055000      0.5499000    
 C   -5.074600      0.4206000     -0.7178000    
 C   -4.351100      0.5859000      0.6293000    
 C   -5.020700      -1.038700      -1.183100    
 C   -3.583200      -1.547700      -1.180000    
 C   -2.913300      -1.313800      0.1740000    
 C   -2.273100      0.3222000       1.821300    
 C   -6.521000      0.9019000     -0.6187000    
 C  -0.8204000     -0.1315000       1.719200    
 C  -6.4000003E-02  0.6517000      0.6547000    
 C    2.106200      0.8033000     -0.2961000    
 C    3.459800      0.2496000     -0.2395000    
 C    4.546200       1.054100     -0.5640000    
 C    3.646100      -1.075200      0.1384000    
 C    5.836300      0.5266000     -0.5100000    
 C    4.936400      -1.602600      0.1925000    
 C    6.031400     -0.8016000     -0.1317000    
 H   -4.563500       1.042100      -1.466000    
 H   -4.352700       1.650800      0.8946000    
 H   -4.900000      5.4499999E-02   1.418700    
 H   -5.443500      -1.132900      -2.190200    
 H   -5.628600      -1.667500     -0.5201000    
 H   -3.571400      -2.617200      -1.419600    
 H   -3.013000      -1.037600      -1.967000    
 H   -3.391700      -1.941000      0.9376000    
 H   -1.889200      -1.673300      4.4399999E-02
 H   -2.294100       1.388200       2.080700    
 H   -2.765100     -0.2196000       2.639300    
 H   -6.559900       1.954600     -0.3196000    
 H   -7.027700      0.8089000      -1.585000    
 H   -7.085500      0.3196000      0.1174000    
 H  -0.3366000      6.5200001E-02   2.686300    
 H  -0.6967000      -1.211300       1.588700    
 H  -7.8100003E-02   1.721600      0.8944000    
 H  -0.5090000      0.5017000     -0.3350000    
 H    4.410200       2.091500     -0.8577000    
 H    2.811100      -1.725600      0.3838000    
 H    6.689200       1.150300     -0.7618000    
 H    5.088600      -2.637700      0.4842000    
 H    7.035900      -1.212500     -9.0099998E-02


%chk=000048963-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048963

0 1
O 1.350485 -0.003453 0.624813
O 1.711088 1.432440 -1.175878
N -3.047183 -0.192872 0.536864
C -5.094489 0.614033 -0.676534
C -4.350403 0.507495 0.673444
C -5.284729 -0.800824 -1.273960
C -3.933946 -1.543555 -1.364637
C -3.227223 -1.568297 0.005911
C -2.274013 -0.157026 1.803935
C -6.438174 1.352877 -0.508888
C -0.785446 -0.531340 1.633615
C -0.103745 0.335498 0.574770
C 2.161864 0.631864 -0.317687
C 3.598409 0.249865 -0.172639
C 4.529821 0.803725 -1.088964
C 4.046589 -0.631125 0.845843
C 5.898123 0.479078 -0.988311
C 5.417224 -0.951981 0.943690
C 6.344592 -0.398844 0.028540
H -4.444350 1.193220 -1.364043
H -4.156525 1.521694 1.072506
H -5.019441 -0.017666 1.409581
H -5.757054 -0.732391 -2.273109
H -5.981841 -1.374313 -0.626033
H -4.082139 -2.582316 -1.717894
H -3.276955 -1.031806 -2.094181
H -3.826990 -2.195024 0.720317
H -2.235824 -2.045634 -0.094359
H -2.335151 0.877430 2.196033
H -2.725512 -0.823570 2.584632
H -6.292979 2.373943 -0.108555
H -6.962809 1.442293 -1.478281
H -7.106623 0.807673 0.185563
H -0.277254 -0.387991 2.606276
H -0.666468 -1.598468 1.369759
H -0.219507 1.415538 0.783054
H -0.488630 0.143568 -0.440211
H 4.159593 1.481926 -1.864995
H 3.318891 -1.049868 1.546459
H 6.615134 0.907359 -1.697067
H 5.763655 -1.630397 1.731039
H 7.408430 -0.649860 0.107681


