%chk=000291460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291460

0 1
O -4.548474 -2.465847 0.684321
O -2.427651 -2.861398 0.698298
O 5.757904 3.166256 0.708006
O 3.843673 3.072419 1.713488
O -5.043083 3.476672 -0.851146
O -6.353678 1.825500 -0.357991
N 0.544363 -0.480523 -0.047294
N -0.709608 -1.017442 0.151989
N 4.688605 2.633719 0.951967
N -3.395559 -2.108466 0.544106
N -5.251670 2.317434 -0.534432
C 1.695156 -2.659138 0.523707
C 1.615592 -1.211609 0.116208
C 1.359791 -3.599737 -0.645398
C 2.901074 -0.503448 -0.129685
C 1.362385 -5.057812 -0.200429
C 3.169594 0.712055 0.513113
C 3.845902 -1.058046 -1.010829
C -1.811112 -0.197396 -0.017059
C 4.394152 1.349694 0.269724
C -3.131102 -0.726617 0.174501
C 5.058709 -0.404850 -1.244894
C -1.676827 1.182113 -0.382292
C 5.344288 0.803786 -0.605322
C -4.253440 0.115107 0.001776
C -4.082712 1.444520 -0.352636
C -2.776685 1.982810 -0.545559
H 1.019035 -2.859513 1.383547
H 2.707152 -2.897625 0.916720
H 2.091272 -3.453621 -1.465899
H 0.370985 -3.345289 -1.077627
H 1.144836 -5.727925 -1.042251
H 0.600740 -5.252985 0.565731
H 2.330255 -5.361932 0.214487
H 2.438618 1.166909 1.193906
H 3.628524 -2.001849 -1.517882
H -0.843959 -2.025963 0.420856
H 5.787312 -0.838616 -1.932399
H -0.668582 1.588144 -0.529573
H 6.292330 1.326374 -0.778434
H -5.268374 -0.298370 0.151792
H -2.679633 3.041602 -0.824409


%chk=000291460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291460

0 1
O -4.487123 -2.653991 0.476881
O -2.234558 -2.987103 0.460849
O 5.615571 3.488340 -0.202412
O 3.355003 3.616243 0.064615
O -5.118737 3.535240 -0.357860
O -6.443621 1.693164 -0.081592
N 0.630722 -0.404071 0.082949
N -0.623861 -0.971182 0.189404
N 4.450337 2.949503 -0.074655
N -3.288920 -2.197432 0.387756
N -5.289686 2.265701 -0.179564
C 1.571987 -2.716381 0.407055
C 1.680908 -1.214996 0.188455
C 1.327877 -3.514236 -0.912715
C 3.008039 -0.559320 0.042773
C 1.075352 -5.010169 -0.634286
C 3.109174 0.858919 0.052098
C 4.200766 -1.320188 -0.117770
C -1.753976 -0.185271 0.100258
C 4.367898 1.461845 -0.091682
C -3.075490 -0.763256 0.196704
C 5.455832 -0.688019 -0.262375
C -1.657313 1.230400 -0.094570
C 5.558798 0.716491 -0.249054
C -4.231198 0.043695 0.106581
C -4.082828 1.421412 -0.082971
C -2.797401 2.024692 -0.185634
H 0.748547 -2.942205 1.114951
H 2.484361 -3.097357 0.896689
H 2.202206 -3.389926 -1.580547
H 0.461396 -3.088298 -1.454271
H 0.939474 -5.569210 -1.577046
H 0.162271 -5.148969 -0.026404
H 1.922027 -5.467493 -0.088816
H 2.215881 1.474245 0.173921
H 4.157119 -2.413141 -0.142231
H -0.808645 -1.987006 0.323579
H 6.357249 -1.295887 -0.387418
H -0.658599 1.663315 -0.171081
H 6.514983 1.234830 -0.354335
H -5.222938 -0.409227 0.183366
H -2.728786 3.105394 -0.334791


