%chk=000261998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261998

0 1
O 4.161025 -1.370608 -0.055907
O -4.090479 -2.381219 -0.513820
N -2.134200 -0.534360 0.054022
N -3.469649 -0.206287 0.195771
N -5.736767 -0.810311 -0.199558
C 1.053731 2.324270 -0.067694
C -0.420990 2.654471 -0.407246
C 1.276463 0.810958 -0.012758
C -1.398137 1.843010 0.442778
C 0.203694 -0.104593 0.118034
C 1.937735 2.958461 -1.158583
C 1.426417 2.905167 1.309316
C -1.197243 0.366960 0.197300
C 2.584986 0.327127 -0.059643
C 0.472072 -1.485370 0.177366
C 2.821837 -1.058397 0.005057
C 1.774548 -1.979523 0.121823
C 4.531885 -2.770147 -0.010421
C -4.379979 -1.248075 -0.205145
H -0.607681 2.449556 -1.480862
H -0.603860 3.736065 -0.268108
H -2.435662 2.165279 0.227881
H -1.239995 2.049413 1.524137
H 1.787152 2.471694 -2.129186
H 1.721537 4.024506 -1.280573
H 3.004128 2.872842 -0.918820
H 2.473713 2.699168 1.559985
H 1.289992 3.990418 1.337177
H 0.814750 2.469018 2.107192
H 3.436764 0.999058 -0.148515
H -0.361166 -2.193864 0.267603
H 1.951338 -3.048000 0.167717
H -3.761611 0.770924 0.037757
H 4.220922 -3.214332 0.939455
H 5.625866 -2.714980 -0.080681
H 4.109688 -3.302717 -0.867579
H -6.422186 -1.555305 -0.284920
H -6.033037 -0.078679 0.427944


%chk=000261998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261998

0 1
O 4.287427 -1.413745 -0.112566
O -4.203841 -2.436458 0.465214
N -2.085969 -0.605395 0.163187
N -3.412975 -0.217813 0.198939
N -5.695911 -0.642806 0.486999
C 1.042191 2.320076 -0.037470
C -0.272389 2.589460 -0.825438
C 1.332101 0.806547 -0.093385
C -1.479355 1.795511 -0.286100
C 0.247221 -0.132018 -0.081989
C 2.168179 3.168035 -0.682799
C 0.885336 2.750056 1.453467
C -1.162960 0.320421 -0.062015
C 2.654129 0.317939 -0.102735
C 0.538901 -1.523190 -0.076809
C 2.925816 -1.070229 -0.098471
C 1.859098 -2.004628 -0.083499
C 4.624420 -2.839544 -0.104652
C -4.415214 -1.200167 0.392513
H -0.105207 2.320014 -1.886861
H -0.503274 3.672334 -0.794893
H -2.319019 1.895379 -1.008183
H -1.832529 2.245406 0.666655
H 2.374046 2.843073 -1.719051
H 1.867293 4.232297 -0.708167
H 3.111053 3.109734 -0.110476
H 1.835314 2.597404 1.996704
H 0.616694 3.821947 1.522291
H 0.110810 2.159891 1.974419
H 3.509887 0.998030 -0.115815
H -0.304202 -2.220638 -0.063434
H 2.042163 -3.083007 -0.081154
H -3.689207 0.764462 0.072252
H 4.242767 -3.338558 0.807213
H 5.723732 -2.874980 -0.114944
H 4.225569 -3.352564 -1.001329
H -6.465160 -1.296879 0.605057
H -5.889331 0.356202 0.515621


