%chk=000181242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181242

0 1
O 4.381741 1.884220 0.261042
O -0.276188 -2.789611 0.033029
N -2.091387 -1.402492 0.228667
N 0.137964 -0.504389 0.224541
C -2.726698 -0.126332 0.044620
C 1.561747 -0.517746 0.104118
C -0.695190 -1.649164 0.135888
C -2.978314 -2.587147 0.378663
C 2.209267 0.730157 0.261610
C -2.375996 0.690338 -1.046987
C -3.712643 0.290139 0.957800
C 2.292860 -1.682035 -0.165647
C 3.600145 0.759196 0.137488
C 3.685901 -1.605674 -0.282923
C 4.359311 -0.398088 -0.136599
C -3.004268 1.926394 -1.206579
C -4.334514 1.526915 0.776194
C -3.981285 2.348714 -0.298993
C 3.730120 3.143450 0.553401
H -0.287295 0.405121 0.428764
H -3.860594 -2.499648 -0.274760
H -3.306618 -2.689168 1.426051
H -2.433118 -3.511896 0.099146
H 1.644483 1.627996 0.472825
H -1.636450 0.354796 -1.773876
H -3.984869 -0.342540 1.800590
H 1.787899 -2.645856 -0.277582
H 4.250873 -2.516004 -0.493024
H 5.438740 -0.325241 -0.224843
H -2.735790 2.561320 -2.051376
H -5.099074 1.853498 1.481536
H -4.469162 3.312262 -0.432122
H 3.047936 3.414789 -0.257032
H 4.583807 3.832622 0.596578
H 3.219560 3.091406 1.519193


%chk=000181242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181242

0 1
O 4.282588 1.972032 0.240196
O -0.315984 -2.954369 -0.004312
N -2.100201 -1.441016 0.183093
N 0.138807 -0.653237 0.204830
C -2.652973 -0.125543 0.044170
C 1.556081 -0.627174 0.076115
C -0.713563 -1.755531 0.102259
C -3.016639 -2.569753 0.456233
C 2.174583 0.648115 0.224269
C -2.222787 0.745394 -0.998676
C -3.697804 0.302793 0.907637
C 2.342134 -1.776586 -0.186426
C 3.577294 0.763309 0.106968
C 3.743480 -1.627256 -0.303380
C 4.374314 -0.377733 -0.161253
C -2.801688 2.024155 -1.142371
C -4.281536 1.577738 0.745117
C -3.832544 2.450781 -0.272277
C 3.512193 3.180133 0.534622
H -0.302536 0.248888 0.399072
H -3.935078 -2.457994 -0.143735
H -3.287097 -2.634180 1.528033
H -2.497481 -3.497823 0.172613
H 1.553139 1.527401 0.429287
H -1.464416 0.404875 -1.711667
H -4.047101 -0.358509 1.707273
H 1.859983 -2.749557 -0.283771
H 4.354552 -2.513757 -0.506476
H 5.458053 -0.259728 -0.246837
H -2.462553 2.677537 -1.954069
H -5.085097 1.890894 1.421019
H -4.286231 3.439898 -0.393884
H 2.792804 3.409946 -0.276357
H 4.256889 3.986571 0.605721
H 2.969317 3.089588 1.496365


