%chk=000179198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179198

0 1
O -2.388632 -0.507955 0.118070
O 2.430251 -1.228080 -0.423103
C -3.775733 1.433687 0.090439
C -2.305097 0.946309 -0.024125
C -3.763261 2.966170 -0.050422
C -4.340229 1.031016 1.460410
C -4.609517 0.803920 -1.034522
C -1.231590 -1.232915 0.049775
C 0.049098 -0.693023 -0.131926
C -1.445604 -2.623176 0.183471
C 1.113866 -1.600688 -0.175241
C -0.350480 -3.479959 0.126513
C 0.947135 -2.986080 -0.049867
C 2.860464 0.072320 -0.140741
C 2.535588 0.735781 1.047523
C 3.740437 0.607289 -1.092109
C 3.118969 1.983892 1.281604
C 4.311921 1.853157 -0.829124
C 4.000760 2.542505 0.349838
H -1.670961 1.338273 0.786303
H -1.865596 1.174481 -1.007957
H -3.171771 3.446182 0.735532
H -4.780270 3.369403 0.022056
H -3.360379 3.286311 -1.016599
H -3.802223 1.510825 2.283326
H -5.397000 1.298051 1.555266
H -4.257460 -0.055252 1.606593
H -4.266593 1.118220 -2.024879
H -5.667295 1.070334 -0.950353
H -4.538676 -0.292416 -0.998845
H 0.217131 0.369157 -0.256282
H -2.455767 -2.995518 0.324018
H -0.502435 -4.556373 0.224759
H 1.807947 -3.645824 -0.094017
H 1.860570 0.283657 1.770871
H 3.966476 0.050472 -1.998810
H 2.887288 2.521416 2.200949
H 5.002927 2.291689 -1.549023
H 4.450042 3.514244 0.543031


%chk=000179198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179198

0 1
O -2.455018 -0.600660 0.158437
O 2.394999 -1.144202 -0.703610
C -3.811083 1.440398 0.066408
C -2.391583 0.850891 -0.089558
C -3.704744 2.965835 -0.198092
C -4.332222 1.189608 1.504942
C -4.768492 0.791415 -0.965932
C -1.268899 -1.339349 0.066194
C -0.007770 -0.771978 -0.240007
C -1.397195 -2.733869 0.295291
C 1.118305 -1.626312 -0.308844
C -0.257781 -3.556113 0.207455
C 1.014408 -3.014040 -0.093260
C 2.871771 0.114854 -0.260482
C 2.556876 0.657377 1.008373
C 3.774789 0.769413 -1.127835
C 3.152054 1.878266 1.397886
C 4.363564 1.986831 -0.722455
C 4.053088 2.549640 0.538435
H -1.696822 1.318861 0.640152
H -2.010316 1.030774 -1.117141
H -3.026260 3.456639 0.525751
H -4.699146 3.438513 -0.101100
H -3.330957 3.175036 -1.218721
H -3.673058 1.664692 2.256675
H -5.346435 1.613322 1.626350
H -4.377019 0.108604 1.721998
H -4.423041 0.975443 -2.001251
H -5.785408 1.214222 -0.866396
H -4.826900 -0.299806 -0.812981
H 0.109429 0.295815 -0.439878
H -2.384444 -3.141195 0.530700
H -0.356893 -4.633255 0.379264
H 1.908803 -3.638023 -0.166257
H 1.873486 0.130009 1.681034
H 4.002606 0.314807 -2.096603
H 2.916049 2.298751 2.381940
H 5.064273 2.495789 -1.393534
H 4.511288 3.494498 0.849051


