%chk=000191138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191138

0 1
I -3.902414 -1.991988 -0.239531
O 0.549076 -2.744711 -0.254300
O 3.689406 0.697900 0.908183
O 3.165551 -1.911791 0.721155
O -4.409567 1.833527 -0.200125
N -2.547057 1.133621 0.936435
C -0.862663 1.833982 -0.789898
C 0.208544 0.853181 -0.400722
C -1.719641 2.250879 0.419500
C 1.449383 1.327850 0.064642
C -0.040903 -0.516047 -0.485754
C 0.952119 -1.445625 -0.112097
C 2.427143 0.405450 0.432828
C 2.200434 -0.990117 0.353787
C -3.849754 0.964265 0.444216
C -4.555703 -0.295664 0.881787
C 1.497374 -3.792078 0.089176
C 4.072841 2.092905 0.984572
H -1.515836 1.408517 -1.583334
H -0.415591 2.739008 -1.250382
H -1.073666 2.608517 1.252455
H -2.390957 3.095932 0.128833
H 1.630700 2.393959 0.129617
H -0.994928 -0.900214 -0.851121
H -2.018178 0.321243 1.261007
H 3.997528 -1.435325 0.994855
H -5.645576 -0.189743 0.708741
H -4.416794 -0.520644 1.951829
H 0.918313 -4.697148 -0.121270
H 2.385365 -3.714970 -0.547200
H 1.770981 -3.715432 1.147023
H 3.427174 2.622163 1.691583
H 4.049220 2.546542 -0.010803
H 5.100675 2.021258 1.363613


%chk=000191138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191138

0 1
I -3.522370 -1.766060 1.877488
O 0.685084 -2.955561 -0.264095
O 3.533578 0.672182 1.239990
O 3.104719 -1.920443 1.117826
O -4.566222 2.274560 0.412007
N -2.516270 1.162008 0.539945
C -0.789746 1.658573 -1.204587
C 0.256999 0.705648 -0.641177
C -1.738580 2.226110 -0.114202
C 1.414790 1.222034 0.003214
C 0.080104 -0.691978 -0.721833
C 1.019976 -1.599811 -0.164270
C 2.344571 0.326107 0.557651
C 2.160764 -1.084756 0.497953
C -3.864887 1.263479 0.744144
C -4.621428 0.121652 1.428063
C 1.763556 -3.950996 -0.444277
C 3.827706 2.093608 1.422695
H -1.399624 1.148941 -1.972484
H -0.298087 2.520783 -1.695011
H -1.144725 2.774803 0.644241
H -2.464832 2.933618 -0.550994
H 1.574181 2.303805 0.055157
H -0.787693 -1.123425 -1.231304
H -2.023027 0.311067 0.832230
H 3.800200 -1.332982 1.520879
H -5.464610 -0.181321 0.790260
H -5.003276 0.467373 2.400927
H 1.235113 -4.905217 -0.590260
H 2.363584 -3.709999 -1.342363
H 2.420237 -3.993442 0.437953
H 3.024728 2.591804 1.998698
H 3.957857 2.598309 0.446548
H 4.770229 2.128728 1.988288


