%chk=000236012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236012

0 1
O 0.697530 1.018464 -0.809943
O -0.870513 -1.083463 -1.284625
N 3.066095 3.225576 -0.037738
C 1.662488 1.025292 0.298056
C -0.651463 1.088105 -0.266118
C 0.806631 1.105491 1.558218
C 2.526809 -0.215254 0.229605
C -0.488502 1.143208 1.234115
C -1.417308 -0.168019 -0.720230
C 3.666592 -0.312415 1.042942
C 2.182613 -1.263386 -0.630832
C -2.875431 -0.184275 -0.392792
C 2.455905 2.258952 0.113699
C 4.456004 -1.462756 0.991962
C 2.978925 -2.412022 -0.677915
C -3.635802 0.989636 -0.292486
C -3.490320 -1.432166 -0.202323
C 4.113256 -2.513270 0.131725
C -4.997563 0.914663 0.009617
C -4.851093 -1.503090 0.106376
C -5.604626 -0.330044 0.213176
H -1.088129 2.012176 -0.707685
H 1.266341 1.115659 2.532974
H -1.347708 1.195156 1.884500
H 3.942261 0.505345 1.706901
H 1.286226 -1.175871 -1.262799
H 5.341922 -1.541050 1.619772
H 2.710293 -3.226302 -1.349726
H -3.177217 1.964149 -0.459975
H -2.896576 -2.344830 -0.304146
H 4.732994 -3.407739 0.093377
H -5.588835 1.826648 0.083544
H -5.324408 -2.472782 0.257530
H -6.667194 -0.384487 0.451044


%chk=000236012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236012

0 1
O 0.627513 0.762348 -0.749126
O -1.044565 -1.437378 -0.822180
N 2.838684 3.315430 -0.082561
C 1.687075 0.919349 0.293197
C -0.704111 0.886036 -0.126763
C 0.895421 0.962642 1.607763
C 2.697279 -0.238240 0.219334
C -0.435080 0.966111 1.368540
C -1.581792 -0.350948 -0.476670
C 4.054999 -0.040629 0.568316
C 2.237830 -1.526964 -0.145351
C -3.069746 -0.216367 -0.345414
C 2.345264 2.241856 0.081205
C 4.951793 -1.132516 0.562745
C 3.141815 -2.611679 -0.156571
C -3.705846 0.979100 0.091857
C -3.869910 -1.349312 -0.663598
C 4.497060 -2.421367 0.201968
C -5.110994 1.035583 0.208437
C -5.271568 -1.289224 -0.550556
C -5.896484 -0.095472 -0.113556
H -1.184094 1.804166 -0.520429
H 1.399564 0.995279 2.574653
H -1.230456 0.989286 2.116381
H 4.419216 0.960324 0.828555
H 1.192509 -1.660653 -0.444151
H 6.002479 -0.973889 0.829432
H 2.787183 -3.605887 -0.450326
H -3.120716 1.870254 0.341603
H -3.363717 -2.261419 -0.996534
H 5.193925 -3.267039 0.191505
H -5.593747 1.959180 0.545013
H -5.879064 -2.165488 -0.800669
H -6.987522 -0.047174 -0.026248


