%chk=000281815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281815

0 1
O -3.168420 1.309358 0.920862
O 1.357149 -2.271030 -0.634569
O -4.262450 0.026386 -0.592106
O -0.389993 -0.327349 -2.582539
O -0.543348 -3.467615 -0.313043
N -0.914122 0.721828 -0.622091
N 4.363237 2.331247 2.428402
C -1.852991 -0.327981 -0.193829
C -1.441422 -0.997890 1.133697
C -0.014447 -1.545524 1.114057
C -3.240940 0.312113 -0.023581
C -0.173452 0.584462 -1.804756
C 0.862686 1.667549 -2.046951
C 0.172387 -2.550473 0.006755
C 1.794524 1.851312 -0.885970
C 2.502230 0.750778 -0.372232
C 1.976891 3.117277 -0.311642
C -4.390673 2.050968 1.236954
C 3.374873 0.906199 0.699254
C 2.849938 3.292441 0.760454
C 3.552465 2.183307 1.277385
C 1.686630 -3.036856 -1.840419
C -5.283432 1.216513 2.130559
C 2.126862 -4.436949 -1.471445
H -1.935834 -1.109323 -1.014718
H -2.155884 -1.823524 1.348419
H -1.542769 -0.274922 1.971540
H 0.727308 -0.719406 1.017284
H 0.218090 -2.037305 2.083935
H -0.697171 1.442475 0.064764
H 0.349198 2.613631 -2.320871
H 1.446105 1.388868 -2.957042
H 2.360319 -0.243202 -0.812864
H 1.436750 3.978609 -0.704603
H -4.882242 2.333176 0.288758
H -3.969574 2.938169 1.743522
H 3.910385 0.045349 1.091834
H 2.977853 4.277712 1.200411
H 2.498085 -2.417450 -2.262475
H 0.800718 -3.021612 -2.503106
H -6.140902 1.795430 2.493990
H -5.682975 0.344488 1.589480
H -4.741669 0.835661 3.005101
H 2.498233 -4.982797 -2.346630
H 2.921814 -4.428690 -0.716523
H 1.287166 -5.016487 -1.055238
H 4.710498 3.260972 2.615113
H 5.073314 1.626909 2.569012


%chk=000281815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281815

0 1
O -2.910545 1.537644 0.522731
O 1.347232 -2.837352 -0.946118
O -4.222976 -0.360778 0.168771
O -0.241350 -0.548493 -2.603496
O -0.840723 -3.646774 -0.830307
N -0.725038 0.451630 -0.553048
N 3.800524 3.208106 2.820251
C -1.785899 -0.489114 -0.191354
C -1.406984 -1.407093 1.020110
C -0.015184 -2.057711 0.869740
C -3.107662 0.203975 0.150723
C -0.021092 0.357303 -1.741456
C 1.042586 1.453670 -1.962869
C 0.081753 -2.933291 -0.372276
C 1.761273 1.927448 -0.708527
C 2.622053 1.049384 0.005626
C 1.602377 3.243271 -0.205671
C -4.127313 2.292669 0.962519
C 3.295991 1.464732 1.167990
C 2.269443 3.676898 0.959225
C 3.131287 2.791667 1.667467
C 1.539953 -3.558931 -2.245444
C -4.395000 2.064276 2.452290
C 1.911098 -5.025851 -2.012432
H -1.959859 -1.133731 -1.072589
H -2.183958 -2.187574 1.101249
H -1.418924 -0.814387 1.955740
H 0.783234 -1.298928 0.839807
H 0.171863 -2.699157 1.753568
H -0.517852 1.225815 0.082607
H 0.539300 2.304641 -2.462025
H 1.748302 1.029712 -2.698784
H 2.765952 0.024016 -0.360274
H 0.950935 3.948358 -0.737895
H -4.981430 1.963979 0.345092
H -3.875487 3.341622 0.739215
H 3.959120 0.766641 1.694279
H 2.130204 4.703841 1.319286
H 2.351899 -2.994622 -2.730851
H 0.610744 -3.454327 -2.830311
H -5.245457 2.691687 2.777830
H -4.653516 1.009775 2.645595
H -3.514170 2.336969 3.059199
H 2.132526 -5.510244 -2.981894
H 2.806981 -5.112012 -1.372661
H 1.076963 -5.569910 -1.539061
H 3.699419 4.156988 3.167558
H 4.428406 2.580365 3.313177


