%chk=000201350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201350

0 1
O -2.080018 -0.713374 0.221423
O 3.344201 -2.176067 2.026885
O 3.324612 0.467238 -1.778324
O -0.684605 -0.545771 -2.946738
N 3.309109 -1.151523 -0.080078
N -2.021383 1.160322 -2.217332
N -7.025982 1.827258 0.655337
C 1.471836 -2.373133 -1.283664
C 2.952605 -2.344048 -0.889201
C 0.528777 -2.394697 -0.075381
C -0.920889 -2.629442 -0.517301
C 3.428798 -1.181339 1.355539
C 3.422192 0.176393 -0.613519
C 3.692644 0.245259 1.751651
C 3.692083 1.053025 0.580436
C -1.934090 -2.143782 0.514123
C 3.915107 0.791341 2.996686
C 3.917122 2.410306 0.649054
C -3.360181 -0.198074 0.330038
C -3.920781 0.388220 -0.823098
C 4.143251 2.186620 3.071213
C 4.144906 2.975522 1.926957
C -3.226212 0.296117 -2.158672
C -4.024096 -0.170645 1.565252
C -5.151161 1.040043 -0.709397
C -5.822673 1.082731 0.530202
C -5.257926 0.464048 1.667163
C -0.771244 0.594556 -2.514554
C 0.399336 1.518895 -2.351533
H 1.295472 -3.261297 -1.923277
H 1.220918 -1.502709 -1.934248
H 3.219107 -3.249342 -0.294137
H 3.587677 -2.340049 -1.805532
H 0.842674 -3.170263 0.648625
H 0.598188 -1.427707 0.462910
H -1.105966 -2.078951 -1.476588
H -1.088613 -3.696975 -0.746442
H -1.573004 -2.200787 1.553894
H -2.905659 -2.652209 0.421703
H 3.916429 0.175017 3.896506
H 3.922606 3.032289 -0.246475
H 4.320174 2.640389 4.047565
H 4.324225 4.048947 2.004333
H -2.927591 -0.767826 -2.357843
H -3.906563 0.594672 -2.989509
H -3.564006 -0.634223 2.435769
H -5.589100 1.522777 -1.580692
H -5.773223 0.498621 2.623950
H -2.082693 2.028914 -1.695184
H -7.553468 1.953154 -0.197419
H -7.625818 1.562758 1.424382
H 0.515172 1.874055 -1.321076
H 1.340695 0.994161 -2.614324
H 0.335028 2.392588 -3.012056


%chk=000201350-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201350

0 1
O -2.390696 -1.160490 -0.387042
O 2.675325 -1.618228 2.359718
O 4.066948 -0.175275 -1.904900
O -0.604471 -0.047787 -2.942686
N 3.253720 -1.203800 0.083957
N -1.827328 1.521868 -1.724122
N -7.067621 1.712684 0.983032
C 1.593818 -2.718304 -1.096415
C 2.993614 -2.550192 -0.459769
C 0.417676 -2.454395 -0.127712
C -0.910397 -3.035323 -0.663891
C 3.077272 -0.846447 1.453013
C 3.776685 -0.122158 -0.684371
C 3.488799 0.592893 1.551956
C 3.909302 1.026805 0.271752
C -2.145632 -2.534503 0.093691
C 3.506658 1.453166 2.659547
C 4.365326 2.335382 0.055850
C -3.571813 -0.507561 0.008488
C -3.960942 0.596733 -0.804365
C 3.962434 2.781521 2.451519
C 4.385934 3.215659 1.169554
C -3.151380 0.953242 -2.042590
C -4.358006 -0.871883 1.124707
C -5.120739 1.322766 -0.463908
C -5.917958 0.976631 0.665144
C -5.518722 -0.137403 1.451099
C -0.641565 0.947327 -2.155716
C 0.624109 1.584772 -1.583076
H 1.543111 -3.764412 -1.463692
H 1.494825 -2.065380 -1.984026
H 3.114023 -3.256125 0.382451
H 3.775963 -2.751966 -1.213628
H 0.641972 -2.887138 0.868115
H 0.294874 -1.364351 0.019006
H -1.035911 -2.760899 -1.728588
H -0.879564 -4.142558 -0.606048
H -1.968248 -2.528929 1.190300
H -3.039412 -3.156430 -0.121291
H 3.181397 1.104573 3.644741
H 4.693518 2.657506 -0.937437
H 3.990865 3.482784 3.292475
H 4.735654 4.245551 1.039963
H -2.939201 0.052901 -2.647224
H -3.724700 1.666478 -2.666596
H -4.076448 -1.725056 1.750059
H -5.422560 2.166493 -1.099295
H -6.118157 -0.433372 2.320711
H -1.788844 2.290444 -1.052431
H -7.364641 2.491606 0.404154
H -7.645183 1.455982 1.777183
H 0.924674 1.036379 -0.671029
H 1.439897 1.492096 -2.316988
H 0.489745 2.648124 -1.315349


