%chk=000198022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198022

0 1
O -2.741729 -1.966921 0.653983
O -2.442048 2.441760 -0.222921
N -2.468832 0.289354 0.178834
N -3.025909 1.408844 -0.337560
N -4.257431 -1.052182 -0.793747
C 1.357522 0.108149 0.596120
C 2.516067 -0.018664 -0.402417
C 0.004016 0.135047 -0.125138
C 3.871848 -0.046820 0.315588
C -1.143231 0.268618 0.884511
C 5.032549 -0.173090 -0.681341
C 6.384806 -0.201317 0.027487
C -3.157577 -0.995606 0.050781
H 1.387254 -0.735799 1.313386
H 1.483586 1.027094 1.201383
H 2.488422 0.823165 -1.121236
H 2.392391 -0.937280 -1.008367
H -0.024826 0.974509 -0.848171
H -0.124333 -0.788850 -0.724057
H 3.902292 -0.888721 1.033857
H 3.998053 0.870218 0.922665
H -1.135195 -0.581262 1.607311
H -1.047108 1.209200 1.472419
H 4.909629 -1.091827 -1.287780
H 5.005103 0.669398 -1.399919
H 6.556159 0.712759 0.607294
H 7.206764 -0.292407 -0.691378
H 6.460078 -1.047186 0.720301
H -4.662903 -0.239944 -1.232754
H -4.793017 -1.908939 -0.826437


%chk=000198022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198022

0 1
O -2.755970 -2.121884 0.452369
O -2.427977 2.424802 -0.214715
N -2.502989 0.200184 0.173998
N -3.106021 1.348244 -0.351677
N -4.437211 -0.906027 -0.639716
C 1.353580 0.089288 0.559731
C 2.549182 -0.052596 -0.409310
C -0.009799 0.063337 -0.166619
C 3.917718 -0.032298 0.308242
C -1.179221 0.215729 0.834393
C 5.115799 -0.165732 -0.659728
C 6.479575 -0.143910 0.064054
C -3.237155 -1.044436 0.011678
H 1.389005 -0.729596 1.307715
H 1.453524 1.038861 1.125551
H 2.514471 0.767642 -1.156057
H 2.448522 -0.999103 -0.980058
H -0.051618 0.881106 -0.911200
H -0.124221 -0.893527 -0.711335
H 3.956020 -0.855398 1.052082
H 4.017606 0.911884 0.883661
H -1.172520 -0.615388 1.558275
H -1.098847 1.180284 1.367975
H 5.016042 -1.108969 -1.234736
H 5.076321 0.656920 -1.402539
H 6.618170 0.802729 0.619662
H 7.318928 -0.243326 -0.648432
H 6.554511 -0.973181 0.792564
H -4.741426 0.014740 -0.959164
H -5.001597 -1.739079 -0.783966


