%chk=000284547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284547

0 1
O -3.793286 -2.042252 0.479400
N 4.437409 -0.075583 -0.099671
N 6.255877 1.599221 0.296895
N 6.607704 -0.355827 -1.135446
N -4.271812 -0.095635 1.547882
N 4.874904 -1.835761 -1.708610
N 8.285474 1.305487 -0.873997
C 4.857501 1.258285 0.574116
C 3.046236 -0.471932 -0.044232
C 3.958207 2.377949 0.028486
C 4.689070 1.077301 2.089874
C 5.329961 -0.730361 -0.964755
C 0.359247 -1.246006 0.094636
C -1.084661 -1.653223 0.172993
C 2.173273 -0.155749 -1.099930
C 2.583558 -1.184006 1.073877
C -1.931463 -0.540401 0.805634
C 0.836155 -0.543220 -1.024044
C 1.241507 -1.561914 1.139064
C 6.998714 0.869140 -0.517950
C -3.384298 -0.964896 0.890462
C -5.724461 -0.419205 1.520399
C -6.415304 0.164737 0.310223
C -3.923803 1.315493 1.823794
C -7.242440 1.288659 0.433481
C -6.226114 -0.429874 -0.946699
C -7.879278 1.812954 -0.696126
C -6.862668 0.098400 -2.071375
C -7.690385 1.220333 -1.947997
H 2.907009 2.237120 0.292750
H 4.284795 3.345972 0.435818
H 4.032158 2.461802 -1.062130
H 5.237335 0.202215 2.456743
H 3.640633 0.979681 2.383097
H 5.106432 1.950793 2.612649
H -1.486597 -1.904756 -0.832806
H -1.208323 -2.593426 0.753737
H 2.544727 0.383782 -1.971955
H 3.267303 -1.437167 1.883996
H -1.541005 -0.297093 1.815848
H -1.838889 0.390769 0.209207
H 0.158059 -0.299591 -1.841895
H 0.879749 -2.110752 2.008405
H -6.184282 -0.063853 2.468514
H -5.831476 -1.535889 1.517620
H 5.597900 -2.372489 -2.181479
H 4.130636 -2.400136 -1.321922
H -4.717232 1.798341 2.419707
H -2.993241 1.374446 2.412687
H -3.803095 1.903427 0.897550
H 8.915553 0.604712 -1.240505
H 8.714842 1.987324 -0.262887
H -7.396321 1.754027 1.404286
H -5.578295 -1.307172 -1.035463
H -8.524624 2.684089 -0.598606
H -6.716529 -0.365667 -3.045568
H -8.187646 1.628976 -2.825377


%chk=000284547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284547

0 1
O -3.750259 -2.189177 0.003420
N 4.560615 -0.004722 -0.104580
N 6.309337 1.535270 0.749904
N 6.884244 -0.505139 -0.492192
N -4.272445 -0.267355 1.204343
N 5.244430 -2.015957 -1.170908
N 8.516268 0.757587 0.593385
C 4.930028 1.456097 0.247257
C 3.190091 -0.454543 -0.104019
C 4.792251 2.320881 -1.038264
C 3.985734 1.967394 1.352423
C 5.583115 -0.811795 -0.586342
C 0.471703 -1.351308 -0.075862
C -0.984235 -1.787741 -0.041426
C 2.345763 -0.230795 -1.223160
C 2.670679 -1.143981 1.021580
C -1.892548 -0.680027 0.550972
C 1.004837 -0.673052 -1.202698
C 1.330221 -1.583000 1.031550
C 7.171011 0.636956 0.286984
C -3.369221 -1.108006 0.561438
C -5.695748 -0.682737 1.297093
C -6.618136 0.140634 0.403926
C -3.922853 1.008825 1.847896
C -7.676108 0.906053 0.952170
C -6.428699 0.136728 -1.003024
C -8.534274 1.655637 0.113072
C -7.282106 0.884806 -1.841798
C -8.338088 1.647626 -1.286152
H 3.746127 2.354486 -1.394675
H 5.120317 3.350522 -0.812847
H 5.439391 1.920577 -1.839146
H 4.075579 1.339003 2.254459
H 2.932340 1.990969 1.023186
H 4.303922 2.989262 1.616566
H -1.349330 -2.036379 -1.053141
H -1.106072 -2.703503 0.564162
H 2.748589 0.282297 -2.103120
H 3.330041 -1.328108 1.876368
H -1.557265 -0.428832 1.576138
H -1.778221 0.246866 -0.047316
H 0.365027 -0.499556 -2.076992
H 0.943879 -2.120296 1.906641
H -6.016260 -0.600877 2.354128
H -5.721165 -1.746858 1.002468
H 6.012469 -2.622609 -1.445501
H 4.277963 -2.281732 -1.338479
H -3.816522 0.896330 2.946057
H -2.983952 1.416914 1.445966
H -4.721748 1.745834 1.649812
H 9.149906 0.015317 0.313910
H 8.829187 1.550631 1.145026
H -7.834453 0.911481 2.038406
H -5.617869 -0.464832 -1.430441
H -9.350429 2.242679 0.549291
H -7.131204 0.870032 -2.927200
H -9.001456 2.226819 -1.938308


