%chk=000213648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213648

0 1
O -0.625613 -1.675981 -2.023607
N 1.996840 -0.670978 0.036110
N 5.239000 2.114197 0.572945
N -1.702360 0.830223 1.703592
C 4.449010 0.952316 0.081329
C 3.136628 1.461978 -0.545645
C 4.118081 -0.076396 1.189484
C 2.296316 0.293385 -1.076938
C 3.265189 -1.221810 0.625764
C 1.146544 -1.796872 -0.461601
C -0.230303 -1.306222 -0.933333
C -1.023094 -0.474307 -0.038371
C -2.399880 -0.094325 -0.277749
C -2.809930 0.721085 0.826254
C -0.634735 0.107778 1.168242
C -3.313127 -0.365615 -1.311486
C -4.104305 1.261347 0.915737
C -4.588475 0.168857 -1.221445
C -4.979385 0.972214 -0.120298
H 5.067133 0.452226 -0.710334
H 3.362392 2.169644 -1.367450
H 2.551366 2.036397 0.198010
H 3.571432 0.419135 2.014380
H 5.043468 -0.487195 1.629947
H 1.325546 0.682605 -1.460221
H 2.807985 -0.188438 -1.937854
H 3.859296 -1.811069 -0.106412
H 2.985826 -1.915475 1.448449
H 1.612955 -2.375916 -1.291253
H 0.982871 -2.517149 0.371525
H 6.103062 1.811334 1.010805
H 4.724758 2.653326 1.261779
H 0.333390 0.057524 1.654760
H -1.694016 1.354353 2.557463
H -2.994075 -0.983365 -2.154614
H -4.400840 1.876253 1.758111
H -5.314819 -0.025297 -2.009190
H -5.993831 1.368031 -0.097186


%chk=000213648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213648

0 1
O -0.740658 -1.935493 -1.957522
N 2.039698 -0.720692 0.025782
N 5.218032 2.151026 0.662639
N -1.683630 0.892399 1.618113
C 4.459753 0.993670 0.141270
C 3.128080 1.474748 -0.474404
C 4.162307 -0.117325 1.189424
C 2.304016 0.297923 -1.027820
C 3.311558 -1.252753 0.585470
C 1.177366 -1.816631 -0.482542
C -0.252356 -1.408191 -0.904227
C -1.044163 -0.501679 -0.069196
C -2.435827 -0.111230 -0.296832
C -2.810086 0.763265 0.778277
C -0.632475 0.141295 1.114242
C -3.390984 -0.418330 -1.298983
C -4.092727 1.339274 0.885310
C -4.676364 0.153922 -1.201287
C -5.024627 1.021041 -0.125113
H 5.068412 0.544205 -0.671387
H 3.338815 2.203440 -1.277845
H 2.534816 1.996685 0.305142
H 3.615891 0.335554 2.041827
H 5.111892 -0.532768 1.581695
H 1.334239 0.663652 -1.410852
H 2.846223 -0.163616 -1.893565
H 3.907875 -1.779085 -0.206304
H 3.065756 -2.003818 1.360422
H 1.618707 -2.330863 -1.370371
H 1.079954 -2.575597 0.320899
H 6.160255 1.916287 0.995153
H 4.698184 2.689202 1.366382
H 0.355618 0.110455 1.569464
H -1.646194 1.460567 2.462455
H -3.115442 -1.084830 -2.119896
H -4.362178 2.005264 1.712591
H -5.426518 -0.070830 -1.967617
H -6.032916 1.447655 -0.081093


