%chk=000052459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052459

0 1
 O  -0.3835000      -1.487200     -0.4308000    
 O  -0.2854000     -0.9891000       1.814100    
 O   -5.379000       2.241400      0.2510000    
 O    7.067900      0.7010000      -1.088100    
 O    7.086400     -0.7723000      0.5392000    
 N   -3.526800      -3.344700      7.4800000E-02
 N    6.472300      7.6000001E-03 -0.2283000    
 C   -2.653300      -2.201400     -0.1878000    
 C   -1.192900      -2.622600     -0.1544000    
 C   0.8391000      0.4106000      0.2044000    
 C    2.306500      0.3049000      8.9800000E-02
 C   0.1721000       1.545100     -8.9299999E-02
 C   -1.283800       1.727100     -9.9999997E-05
 C   5.7999999E-03 -0.7490000      0.6508000    
 C   -4.929300      -2.930900      5.8699999E-02
 C   -3.294400      -4.401800     -0.9087000    
 C    2.968300       1.068300     -0.8566000    
 C    2.989900     -0.5542000      0.9335000    
 C    4.355700      0.9695000     -0.9626000    
 C    4.377200     -0.6527000      0.8274000    
 C    5.060100      0.1090000     -0.1207000    
 C   -2.073500       1.462600      -1.109400    
 C   -1.844700       2.161200       1.192100    
 C   -3.455000       1.636100      -1.024500    
 C   -3.226100       2.334400       1.276900    
 C   -4.031300       2.072000      0.1686000    
 C   -6.142500       1.955100     -0.9200000    
 H   -2.817800      -1.427400      0.5723000    
 H   -2.879700      -1.731600      -1.154500    
 H  -0.9521000      -3.336300     -0.9473000    
 H  -0.9187000      -3.094300      0.7974000    
 H   0.6923000       2.449000     -0.3970000    
 H   -5.583300      -3.772700      0.3121000    
 H   -5.234000      -2.538300     -0.9183000    
 H   -5.111100      -2.156500      0.8126000    
 H   -4.052100      -5.188600     -0.8079000    
 H   -3.336600      -4.033100      -1.940100    
 H   -2.339700      -4.910800     -0.7438000    
 H    2.452800       1.730400      -1.546000    
 H    2.483800      -1.152500       1.685500    
 H    4.854400       1.573800      -1.716300    
 H    4.893200      -1.332300       1.501000    
 H   -1.635800       1.121400      -2.043900    
 H   -1.228300       2.369200       2.062800    
 H   -4.020800       1.412600      -1.922400    
 H   -3.669300       2.673900       2.209100    
 H   -6.064900      0.8995000      -1.202300    
 H   -7.192900       2.144000     -0.6753000    
 H   -5.880600       2.625900      -1.745200    


%chk=000052459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052459

0 1
O -0.522143 -1.658962 -0.436994
O 0.065274 -1.246473 1.782083
O -5.563060 2.529468 -0.800979
O 7.146830 0.902700 -0.887925
O 7.123023 -0.390932 0.993079
N -3.238565 -4.095524 0.597472
N 6.525607 0.259704 0.048047
C -2.579740 -2.774885 0.484869
C -1.141453 -2.965532 -0.033961
C 0.732327 0.319633 -0.002320
C 2.220124 0.297404 0.013197
C 0.030975 1.388420 -0.513525
C -1.411083 1.648017 -0.567934
C 0.058455 -0.900656 0.573786
C -4.178521 -4.199971 1.731078
C -3.834997 -4.560069 -0.671035
C 2.970125 0.967849 -1.001182
C 2.937282 -0.403558 1.029209
C 4.373241 0.963459 -0.994617
C 4.342535 -0.416928 1.047223
C 5.048943 0.271133 0.036347
C -1.871224 2.666881 -1.450446
C -2.389692 0.985366 0.236651
C -3.235991 2.990583 -1.575832
C -3.749774 1.303000 0.133884
C -4.185284 2.299361 -0.780303
C -6.071807 3.564149 -1.708747
H -2.537216 -2.309355 1.485314
H -3.129667 -2.076635 -0.191228
H -1.119671 -3.553123 -0.964374
H -0.515360 -3.442959 0.737807
H 0.640387 2.208433 -0.920884
H -4.528195 -5.244151 1.823593
H -5.080628 -3.545859 1.625636
H -3.664312 -3.931027 2.670107
H -4.165934 -5.608443 -0.564111
H -4.715687 -3.946981 -0.989753
H -3.088468 -4.526714 -1.483713
H 2.447287 1.462781 -1.825540
H 2.383512 -0.911645 1.823942
H 4.954272 1.465682 -1.772451
H 4.899329 -0.940339 1.828783
H -1.140627 3.208664 -2.063790
H -2.081697 0.247536 0.982366
H -3.543930 3.772390 -2.276049
H -4.498232 0.808993 0.760738
H -5.842725 3.318802 -2.763487
H -7.160432 3.567842 -1.555571
H -5.654817 4.557771 -1.455961


