%chk=000237038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237038

0 1
O -0.360919 0.148692 0.934577
O -0.920024 -1.116952 -0.892570
N 3.200497 -0.232479 -0.065436
N -2.497223 0.246292 0.143197
C 1.775658 0.192300 -0.248202
C 0.982165 -0.426323 0.910714
C 4.144145 0.849165 -0.506646
C -3.585421 -0.119457 -0.804741
C -2.771172 1.249682 1.203433
C 3.461352 -1.513738 -0.785528
C -1.244595 -0.317692 -0.031628
C 5.558801 0.552625 -0.006994
C -4.495245 -1.195079 -0.215555
C -2.547260 2.675489 0.702456
H 1.329891 -0.123227 -1.218739
H 1.677391 1.297639 -0.207076
H 1.362221 -0.121241 1.902683
H 0.906078 -1.523600 0.838329
H 4.151591 0.992117 -1.608751
H 3.795607 1.807257 -0.058748
H -4.165609 0.796307 -1.052253
H -3.125579 -0.488760 -1.754351
H -3.818373 1.117259 1.554769
H -2.102669 1.041451 2.074162
H 2.727640 -2.271325 -0.465955
H 4.458114 -1.884697 -0.498023
H 3.419782 -1.442351 -1.882524
H 5.548227 0.272800 1.055612
H 6.023646 -0.274532 -0.553955
H 6.204090 1.430285 -0.115656
H -3.932362 -2.111206 0.011709
H -4.972631 -0.870772 0.715417
H -5.288444 -1.466380 -0.921515
H -1.506600 2.824536 0.383865
H -3.186169 2.918173 -0.153610
H -2.755601 3.406041 1.492130


%chk=000237038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237038

0 1
O -0.397394 0.292785 1.030713
O -0.898079 -1.268831 -0.665342
N 3.197469 -0.142441 -0.072593
N -2.525129 0.217718 0.149872
C 1.861459 0.498608 -0.001582
C 0.993378 -0.232960 1.040525
C 4.300989 0.816567 -0.330595
C -3.553680 -0.307588 -0.776897
C -2.892672 1.312293 1.077474
C 3.205135 -1.302779 -0.992377
C -1.261275 -0.329063 0.098694
C 5.696100 0.205127 -0.103177
C -4.425749 -1.408937 -0.137145
C -2.607639 2.713436 0.495333
H 1.332619 0.492665 -0.983583
H 1.979612 1.554246 0.304080
H 1.358725 -0.045021 2.061617
H 0.970161 -1.317041 0.838127
H 4.249185 1.234871 -1.370755
H 4.168519 1.666851 0.365039
H -4.181757 0.542637 -1.105328
H -3.034851 -0.711600 -1.662342
H -3.970404 1.204964 1.304338
H -2.337084 1.179597 2.019766
H 2.317614 -1.931050 -0.808377
H 4.100978 -1.924039 -0.824294
H 3.184709 -0.996174 -2.068576
H 5.754407 -0.245476 0.903606
H 5.934458 -0.575305 -0.847337
H 6.471623 0.988926 -0.183558
H -3.802549 -2.277660 0.136063
H -4.934491 -1.043119 0.773708
H -5.200998 -1.747875 -0.848957
H -1.526337 2.836142 0.312850
H -3.144272 2.869783 -0.458420
H -2.931782 3.498043 1.204025


