%chk=000179256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179256

0 1
O 5.937247 -0.975429 -0.188379
N -0.847170 -2.731787 -0.418050
N -5.085614 -1.707291 -0.420449
N 4.024138 -0.763249 1.045848
N 1.833816 2.359125 -1.553753
N -8.924331 1.266793 0.508656
C 1.471218 -2.469776 0.408367
C 0.555251 -3.233557 -0.562340
C 2.935774 -2.871136 0.207686
C -3.251592 -3.313406 -0.787269
C -1.803531 -3.527309 -1.250861
C -3.698433 -1.852906 -0.961157
C 3.877502 -2.225534 1.237113
C 3.689994 1.770649 -0.361712
C -5.559874 -0.290513 -0.493981
C 5.026787 1.245354 -0.005652
C 2.732458 2.345280 0.555147
C -7.023688 -0.222635 -0.033680
C 5.042468 -0.259814 0.233540
C 1.576660 2.703724 -0.217660
C 3.121035 1.789812 -1.628233
C -7.525128 1.229149 -0.012023
C 2.732202 2.592527 1.941559
C 0.437968 3.293560 0.370973
C 1.613708 3.170546 2.514460
C 0.477110 3.517094 1.734596
H 1.345562 -1.379052 0.247794
H 1.162597 -2.657463 1.454403
H 0.648137 -4.328521 -0.393641
H 0.874160 -3.044297 -1.611746
H 3.042091 -3.972199 0.273236
H 3.267952 -2.602204 -0.816031
H -3.918132 -3.990196 -1.355917
H -3.370576 -3.607980 0.276101
H -1.681763 -3.183573 -2.302924
H -1.579486 -4.617412 -1.247531
H -3.604324 -1.546462 -2.024511
H -3.021387 -1.184406 -0.380815
H -1.130796 -2.772617 0.567804
H 4.889034 -2.696570 1.158070
H 3.514114 -2.402503 2.273011
H -5.726125 -2.314314 -0.942953
H -5.453208 0.153784 -1.507223
H -4.920071 0.312460 0.189829
H 5.767369 1.469936 -0.808610
H 5.426737 1.756898 0.898301
H 3.197984 -0.200606 1.241492
H -7.118780 -0.664290 0.982917
H -7.666443 -0.844235 -0.684242
H 3.532656 1.444631 -2.561044
H 1.204123 2.475069 -2.322694
H -7.420912 1.685929 -1.019869
H -6.897843 1.834461 0.682004
H 3.603271 2.331380 2.538785
H -0.426965 3.556237 -0.228240
H 1.589509 3.371683 3.583813
H -0.378091 3.969668 2.235972
H -9.534687 0.682578 -0.053866
H -9.291583 2.212120 0.461978


%chk=000179256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179256

0 1
O 5.218228 -0.629595 -1.087433
N -1.144383 -3.298687 -0.138288
N -5.305900 -2.119197 -0.850216
N 3.469061 -0.468645 0.441530
N 1.175057 3.425017 0.569684
N -9.070843 1.122439 -1.111841
C 1.181830 -2.570448 0.380926
C 0.289742 -3.602576 -0.335410
C 2.688173 -2.856816 0.200594
C -3.543386 -3.850838 -0.554257
C -2.072811 -4.249115 -0.792170
C -3.915857 -2.496456 -1.187496
C 3.604881 -1.849043 0.934832
C 3.038022 2.295429 -0.136689
C -5.737541 -0.810836 -1.388049
C 3.994182 1.498098 -0.984947
C 3.305375 2.866287 1.177295
C -7.186033 -0.487685 -0.973357
C 4.286340 0.042367 -0.545041
C 2.119206 3.568396 1.594686
C 1.730979 2.661562 -0.466847
C -7.684867 0.853588 -1.547838
C 4.435232 2.850690 2.038477
C 2.035321 4.245870 2.831526
C 4.358828 3.525560 3.271899
C 3.172207 4.215016 3.664204
H 0.933370 -1.564629 -0.009387
H 0.935668 -2.565009 1.465503
H 0.565528 -4.632057 0.013857
H 0.498861 -3.574989 -1.423857
H 2.923178 -3.872464 0.580406
H 2.950474 -2.849176 -0.875050
H -4.196905 -4.648919 -0.964263
H -3.752907 -3.800309 0.533478
H -1.855919 -4.240934 -1.879909
H -1.919797 -5.303373 -0.446221
H -3.734397 -2.548564 -2.293112
H -3.234027 -1.719700 -0.794831
H -1.367162 -3.202411 0.864261
H 4.659862 -2.140909 0.788713
H 3.385474 -1.856213 2.020116
H -5.970070 -2.862655 -1.114156
H -5.648676 -0.752116 -2.505088
H -5.056895 -0.036527 -0.979392
H 3.629390 1.433970 -2.027434
H 4.981539 1.993267 -1.043734
H 2.747698 0.143697 0.829436
H -7.261241 -0.461514 0.128170
H -7.857311 -1.303061 -1.323257
H 1.162946 2.439890 -1.369067
H 0.235374 3.814948 0.573999
H -7.554591 0.838956 -2.659423
H -7.042391 1.669824 -1.163330
H 5.349418 2.321009 1.748216
H 1.127408 4.777356 3.137952
H 5.222133 3.524851 3.946410
H 3.145354 4.730128 4.630903
H -9.737714 0.394298 -1.388751
H -9.414615 2.060156 -1.340535


