%chk=000216562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216562

0 1
O 1.870452 -0.097908 0.391428
O 0.182005 0.402107 2.592374
O 0.688423 0.311417 -2.216579
O 2.262726 -2.113681 -0.618322
O -1.305420 3.801251 -0.056717
N -0.554901 2.065138 1.258711
N -0.312296 2.023546 -1.135390
C 0.452184 -0.001417 0.193408
C -0.337540 -1.339175 0.092521
C -1.804352 -1.028054 -0.127595
C -0.112385 -2.258570 1.289568
C 0.044348 0.791650 1.458679
C 0.309852 0.748417 -1.156968
C -2.653169 -0.709825 0.942086
C -2.320064 -1.064093 -1.432505
C 2.687681 -1.142192 -0.065109
C 4.101819 -0.722964 0.323259
C -0.773866 2.716322 0.015415
C -4.001548 -0.426736 0.707778
C -3.668769 -0.781286 -1.662575
C 4.659093 -1.769006 1.285971
C 4.923953 -0.599317 -0.957428
C -4.511747 -0.460562 -0.593686
H 0.068633 -1.878088 -0.817378
H -0.211043 -1.745219 2.256605
H 0.889948 -2.706651 1.261382
H -0.833631 -3.086703 1.282829
H -0.859664 2.581372 2.102138
H -0.446148 2.502964 -2.042227
H -2.267536 -0.691204 1.961944
H -1.669756 -1.315016 -2.272176
H 4.062472 0.274177 0.840242
H -4.656391 -0.180829 1.542834
H -4.063426 -0.812376 -2.677493
H 5.692828 -1.529404 1.566864
H 4.670147 -2.773714 0.840991
H 4.074785 -1.822328 2.213761
H 5.960235 -0.317670 -0.731851
H 4.517358 0.164281 -1.633393
H 4.959261 -1.545396 -1.516218
H -5.562353 -0.239362 -0.774276


%chk=000216562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216562

0 1
O 1.936130 -0.131090 0.628034
O 0.214192 0.661897 2.694814
O 0.999290 0.221371 -2.077326
O 2.324725 -2.190954 -0.474918
O -1.588439 3.670705 -0.347532
N -0.700571 2.101075 1.138684
N -0.329737 1.888234 -1.183847
C 0.488060 0.042961 0.323086
C -0.370160 -1.297659 0.272860
C -1.836826 -0.979001 -0.053592
C -0.200486 -2.164301 1.539883
C 0.014497 0.943736 1.489193
C 0.424970 0.712573 -1.075379
C -2.771306 -0.603735 0.947299
C -2.288371 -1.084179 -1.395448
C 2.746361 -1.182190 0.116816
C 4.207421 -0.859564 0.417578
C -0.931152 2.621891 -0.145960
C -4.117013 -0.334128 0.613474
C -3.634053 -0.816504 -1.732050
C 4.942002 -2.124469 0.918420
C 4.854983 -0.302107 -0.882636
C -4.553564 -0.436788 -0.727562
H 0.056859 -1.856599 -0.577513
H -0.530914 -1.655843 2.459350
H 0.852957 -2.455171 1.676745
H -0.794804 -3.086673 1.414189
H -1.084547 2.653117 1.913038
H -0.442829 2.279808 -2.125055
H -2.455122 -0.538172 1.995089
H -1.581429 -1.389220 -2.177239
H 4.228576 -0.073643 1.192687
H -4.825314 -0.049261 1.399490
H -3.964467 -0.910134 -2.772473
H 6.010760 -1.897354 1.080550
H 4.863524 -2.936306 0.174563
H 4.519455 -2.488896 1.871842
H 5.905717 -0.026829 -0.682280
H 4.323248 0.593392 -1.249358
H 4.837823 -1.065965 -1.679857
H -5.598249 -0.230129 -0.984756


