%chk=000187990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187990

0 1
S 0.586654 2.582313 0.593162
F -4.602896 -1.209183 0.954347
O 0.028964 -2.387120 -0.066352
N 2.123187 0.364913 0.752194
N -0.027706 -0.045579 0.140026
C 2.089506 -1.095830 0.419717
C 2.958820 -1.447848 -0.795529
C 4.355718 -0.829524 -0.660418
C 3.436213 1.052434 0.767556
C 4.270463 0.689859 -0.469936
C 0.593657 -1.348055 0.129167
C 0.913721 0.979220 0.464095
C -1.440892 0.185035 -0.066623
C -2.358066 -0.660136 0.580066
C -1.870547 1.214042 -0.919599
C -3.713609 -0.420209 0.350129
C -3.241053 1.417851 -1.108778
C -4.185307 0.603592 -0.477197
H 2.409327 -1.676598 1.323338
H 2.481155 -1.090409 -1.731243
H 3.026034 -2.550263 -0.894020
H 4.953752 -1.063394 -1.563312
H 4.897545 -1.290463 0.188769
H 3.957767 0.741167 1.702484
H 3.281613 2.156931 0.833325
H 5.285040 1.121827 -0.368483
H 3.832361 1.162197 -1.372652
H -2.025176 -1.476720 1.221544
H -1.151111 1.860703 -1.424883
H -3.576622 2.225267 -1.761893
H -5.251413 0.763877 -0.626500


%chk=000187990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187990

0 1
S 0.596738 2.705248 0.657212
F -4.637576 -1.305813 1.053394
O 0.015303 -2.353014 -0.208903
N 2.131290 0.421049 0.536212
N -0.046300 0.014376 0.136247
C 2.064811 -1.032617 0.305485
C 2.998739 -1.457524 -0.856009
C 4.420086 -0.899908 -0.598988
C 3.437455 1.063960 0.723181
C 4.395702 0.639483 -0.417246
C 0.574464 -1.261721 0.044319
C 0.911191 1.048946 0.439443
C -1.459278 0.217565 -0.052206
C -2.362143 -0.644747 0.612949
C -1.933231 1.237005 -0.911765
C -3.733483 -0.448585 0.394213
C -3.323136 1.404177 -1.091338
C -4.248090 0.558354 -0.438431
H 2.362296 -1.579078 1.225340
H 2.600617 -1.057360 -1.807973
H 2.998555 -2.559153 -0.931291
H 5.083869 -1.170654 -1.440464
H 4.846027 -1.374341 0.309447
H 3.853599 0.760769 1.705787
H 3.270992 2.154579 0.742704
H 5.410024 1.017096 -0.190656
H 4.067017 1.118495 -1.359698
H -2.016566 -1.447775 1.267043
H -1.224015 1.895554 -1.417166
H -3.689697 2.197755 -1.749807
H -5.328159 0.667776 -0.568533


