%chk=000276718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276718

0 1
O -9.462497 0.452724 0.222055
O 9.638003 0.128939 0.009239
O -7.588282 0.673659 -1.949794
O 8.778047 0.602050 -2.463650
O -8.407885 0.017317 2.898993
O 7.843856 -0.171972 2.164372
O -0.667390 0.501672 -1.516139
O 0.856802 0.030021 1.724703
N -2.941735 0.263274 0.260777
N 3.132947 0.271879 -0.039378
N -1.615444 0.199992 0.650520
N 1.807134 0.337670 -0.432742
C -8.073187 0.327277 0.445233
C 8.260543 0.248327 -0.159408
C -5.272874 0.186762 0.926011
C 5.464810 0.350183 -0.695685
C -7.137539 0.430439 -0.631323
C 7.783542 0.452090 -1.491284
C -7.588310 0.086116 1.763781
C 7.304281 0.079128 0.893204
C -5.755631 0.377788 -0.398261
C 6.396387 0.499320 -1.755932
C -6.195169 0.021630 1.990825
C 5.923099 0.141289 0.630349
C -3.838416 0.133382 1.219404
C 4.034495 0.406367 -0.995169
C -9.887801 1.804979 -0.227569
C 10.295205 0.939760 1.057954
C -8.370082 -0.431119 -2.552468
C 8.339089 0.773707 -3.849996
C -9.605051 -0.854336 2.867395
C 6.898102 -0.424826 3.258110
C -0.582660 0.322998 -0.258891
C 0.774426 0.211429 0.472186
H -5.055896 0.481948 -1.231588
H 6.028591 0.661484 -2.774056
H -5.852768 -0.141631 3.018441
H 5.175004 0.017937 1.417094
H -3.552792 -0.020290 2.279801
H 3.750935 0.564798 -2.055669
H -10.974910 1.731748 -0.382054
H -9.376233 2.074817 -1.167871
H -9.663215 2.548302 0.558807
H 11.369258 0.739546 0.927615
H 9.956553 0.637279 2.061537
H 10.090090 2.014525 0.893103
H -7.738077 -1.334282 -2.646057
H -9.267345 -0.657091 -1.948437
H -8.658953 -0.071963 -3.551781
H 7.751439 -0.098017 -4.198728
H 7.742647 1.698967 -3.975804
H 9.268149 0.851080 -4.433189
H -9.324709 -1.855029 3.246636
H -10.030177 -0.922096 1.854410
H -10.334205 -0.388480 3.548616
H 6.257101 0.457010 3.447371
H 6.263849 -1.304278 3.039154
H 7.527097 -0.626104 4.137538
H -1.319007 0.058783 1.634892
H 1.514166 0.481327 -1.417603


%chk=000276718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276718

0 1
O -9.462817 0.487835 0.234061
O 9.634044 0.141840 0.023228
O -7.588366 0.710406 -1.943792
O 8.776397 0.561033 -2.461210
O -8.417013 0.002678 2.894705
O 7.838132 -0.118292 2.180664
O -0.669587 0.473850 -1.510868
O 0.853017 0.019878 1.724138
N -2.943677 0.250629 0.259592
N 3.129158 0.256068 -0.038813
N -1.617645 0.182619 0.648871
N 1.803550 0.314035 -0.433889
C -8.074429 0.346535 0.449704
C 8.256528 0.253254 -0.150904
C -5.274611 0.181449 0.926750
C 5.461408 0.333572 -0.693286
C -7.139598 0.453028 -0.627570
C 7.780952 0.427698 -1.487393
C -7.589088 0.086613 1.763397
C 7.299304 0.102620 0.903651
C -5.758004 0.388800 -0.394982
C 6.394003 0.464619 -1.755014
C -6.197387 0.010728 1.990703
C 5.918313 0.153554 0.637464
C -3.840239 0.119566 1.218346
C 4.031304 0.379525 -0.995573
C -9.874514 1.845738 -0.211910
C 10.286546 0.984927 1.049251
C -8.384577 -0.380787 -2.552725
C 8.338968 0.700771 -3.851627
C -9.574186 -0.918366 2.830273
C 6.892117 -0.353222 3.278179
C -0.585438 0.301959 -0.259508
C 0.771029 0.193234 0.471457
H -5.058070 0.497340 -1.227680
H 6.027071 0.604554 -2.776766
H -5.855985 -0.166150 3.016419
H 5.169424 0.043935 1.425474
H -3.554488 -0.041363 2.277639
H 3.748494 0.520825 -2.058695
H -10.962665 1.784138 -0.364190
H -9.362491 2.113455 -1.152542
H -9.640754 2.584464 0.576117
H 11.360357 0.772403 0.938028
H 9.935276 0.721068 2.059427
H 10.091390 2.054424 0.843109
H -7.765244 -1.292404 -2.648561
H -9.286186 -0.596697 -1.951509
H -8.665879 -0.013302 -3.551140
H 7.755067 -0.180561 -4.182021
H 7.739282 1.620815 -3.998450
H 9.268627 0.768878 -4.435012
H -9.223670 -1.958182 2.683251
H -10.261660 -0.631272 2.018577
H -10.063570 -0.824600 3.811474
H 6.246068 0.528912 3.447874
H 6.263031 -1.240597 3.077099
H 7.520910 -0.532426 4.162512
H -1.321250 0.043672 1.633681
H 1.510728 0.450483 -1.419887


