%chk=000230397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230397

0 1
O -0.980190 1.509238 -0.880434
O 0.053600 -1.747828 -1.199213
O -2.233796 -1.079368 1.273299
O 0.815201 2.843171 -0.880367
O -4.520538 -0.860530 0.370851
O 2.611352 -1.793905 0.082905
N 2.205335 0.437646 0.291272
C -1.323597 0.102910 -0.644555
C -0.002824 -0.633854 -0.319374
C 1.116184 0.384986 -0.693186
C -2.323779 0.132946 0.531763
C 0.389467 1.725431 -0.819074
C -3.785083 0.325456 0.060164
C 2.936721 -0.725051 0.577550
C 4.081207 -0.539193 1.524382
H -1.763267 -0.264744 -1.599009
H 0.053662 -0.984971 0.736347
H 1.523439 0.099010 -1.709558
H -2.020018 0.910580 1.272740
H 2.470313 1.355225 0.642232
H -4.258155 1.202441 0.533947
H -3.888245 0.411142 -1.038425
H 0.876073 -2.285311 -0.984890
H -2.613053 -1.833830 0.741585
H -4.583022 -0.968083 1.351050
H 4.571883 -1.510260 1.716306
H 4.854197 0.132905 1.125271
H 3.765034 -0.145258 2.500720


%chk=000230397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230397

0 1
O -1.067515 1.614463 -0.367178
O -0.154445 -1.908830 0.052474
O -2.836855 -1.509227 0.816011
O 0.927046 2.813406 -0.559286
O -4.258005 -0.286906 -1.176906
O 2.470599 -1.897762 0.435473
N 2.295861 0.392961 0.110894
C -1.415664 0.147222 -0.251133
C -0.119607 -0.485053 0.304381
C 0.952271 0.321466 -0.464157
C -2.635528 -0.056444 0.651928
C 0.321685 1.732233 -0.490331
C -3.939445 0.474524 0.029998
C 2.997685 -0.731345 0.478991
C 4.428671 -0.526928 0.940297
H -1.628806 -0.235953 -1.266598
H -0.022445 -0.267679 1.391861
H 0.986544 -0.081356 -1.500257
H -2.452150 0.428465 1.634003
H 2.730129 1.322104 0.134944
H -4.751893 0.394739 0.780871
H -3.825330 1.526793 -0.277345
H 0.798860 -2.232318 0.194049
H -1.970017 -1.999386 0.695333
H -4.193965 -1.243162 -0.906426
H 4.562928 -1.003992 1.925350
H 5.110533 -1.036130 0.237190
H 4.716962 0.534995 1.009868


