%chk=000202786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202786

0 1
O 6.515037 -1.768735 0.063355
O 1.867157 2.952682 -0.039049
O -4.194047 -2.904908 1.026809
N 3.800889 -0.921462 -0.189289
N 0.627495 1.085473 -0.489041
N -0.528283 0.395581 -0.530523
C 2.493131 -0.373975 0.291542
C 4.905195 0.075270 0.008069
C 4.143436 -2.206386 0.503844
C 1.841504 0.324281 -0.921707
C 6.200089 -0.512171 -0.572949
C 5.459158 -2.738872 -0.088149
C 0.759023 2.447570 -0.040207
C -0.513515 3.079197 0.370513
C -1.650213 1.001953 -0.154859
C -1.672757 2.374515 0.310925
C -2.912791 0.224347 -0.221738
C -0.416809 4.486900 0.836642
C -3.009313 -1.008893 0.419400
C -4.011660 0.756130 -0.925471
C -4.233345 -1.707632 0.348744
C -5.207329 0.042032 -0.979659
C -5.338848 -1.197422 -0.341375
C -5.384584 -3.729317 1.015948
H 2.594506 0.336267 1.140694
H 1.829049 -1.192137 0.645019
H 5.059504 0.344898 1.075404
H 4.635737 1.011917 -0.527130
H 3.326295 -2.935485 0.317074
H 4.245295 -2.092484 1.604323
H 1.565864 -0.424656 -1.698367
H 2.548921 1.049400 -1.391000
H 6.126199 -0.670990 -1.663129
H 7.083823 0.103690 -0.331902
H 5.849332 -3.604815 0.474013
H 5.352758 -2.989384 -1.158531
H -2.629785 2.804167 0.610482
H 0.007954 5.135104 0.051385
H 0.264054 4.572381 1.700363
H -1.384955 4.909619 1.131653
H -2.168250 -1.445028 0.955531
H -3.920107 1.711489 -1.435538
H -6.056786 0.451024 -1.528085
H -6.277296 -1.737140 -0.393097
H -5.631155 -4.027940 -0.006934
H -6.213382 -3.206811 1.501696
H -5.062194 -4.594347 1.610704


%chk=000202786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202786

0 1
O 6.457074 -1.911582 0.236790
O 1.945449 3.061664 -0.353948
O -3.877492 -3.241448 0.054776
N 3.723995 -0.954691 0.018008
N 0.605597 1.137558 -0.524835
N -0.572240 0.439274 -0.438732
C 2.475031 -0.253195 0.383125
C 4.879688 -0.033592 -0.153565
C 4.080701 -2.056097 0.948923
C 1.788955 0.322598 -0.880355
C 6.095381 -0.814214 -0.677463
C 5.305150 -2.813051 0.407158
C 0.789686 2.531981 -0.266611
C -0.444238 3.245528 0.090600
C -1.685821 1.123430 -0.096554
C -1.634005 2.541217 0.172011
C -2.946107 0.332238 -0.013732
C -0.314595 4.720203 0.363451
C -2.888138 -1.081816 -0.015088
C -4.218559 0.968682 0.061146
C -4.070474 -1.851034 0.060794
C -5.391577 0.192956 0.136414
C -5.338126 -1.219150 0.139768
C -5.068550 -4.091262 0.122687
H 2.652337 0.573500 1.112083
H 1.784420 -0.975386 0.856824
H 5.147398 0.457940 0.815122
H 4.617141 0.765151 -0.870617
H 3.224571 -2.752298 1.028519
H 4.314868 -1.673249 1.974069
H 1.452245 -0.496962 -1.532053
H 2.485447 0.979804 -1.424277
H 5.867345 -1.225816 -1.684347
H 6.988750 -0.170445 -0.731680
H 5.640287 -3.589615 1.114618
H 5.047209 -3.279353 -0.568361
H -2.547626 3.067702 0.463288
H 0.110513 5.238041 -0.516111
H 0.398473 4.899541 1.189157
H -1.285959 5.175539 0.618134
H -1.922449 -1.589227 -0.078944
H -4.305366 2.058993 0.040241
H -6.366030 0.691064 0.188735
H -6.263362 -1.799210 0.201029
H -5.734570 -3.922438 -0.745970
H -5.632299 -3.922406 1.061031
H -4.686126 -5.122169 0.101145


