%chk=000211257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211257

0 1
O -0.531342 -0.285075 0.265988
O -1.876861 1.586330 -0.287902
O 2.468693 -0.012298 0.725185
O 2.402910 -1.088046 -1.325745
N 3.180029 -2.135777 0.626888
C -1.922264 0.113340 -0.060186
C -2.331519 -0.532819 -1.373893
C -2.801212 -0.122914 1.157391
C -2.741532 -1.995292 -1.171251
C -3.195632 -1.598695 1.281701
C -3.762626 -2.142901 -0.035928
C 0.247341 0.848589 0.156770
C -0.561384 1.980840 -0.166061
C 1.615079 1.006785 0.312707
C -0.042315 3.249856 -0.316046
C 2.170194 2.298670 0.155661
C 1.354389 3.383972 -0.143202
C 2.666364 -1.107185 -0.149496
C 3.865831 -3.261510 -0.042165
H -1.492110 -0.467481 -2.098677
H -3.162316 0.053654 -1.817865
H -3.702155 0.520522 1.075240
H -2.271220 0.212691 2.072374
H -1.838738 -2.600605 -0.946681
H -3.155139 -2.399184 -2.114373
H -3.934899 -1.718642 2.095684
H -2.306937 -2.192025 1.580686
H -4.698209 -1.611410 -0.295200
H -4.039320 -3.207223 0.084882
H -0.669946 4.101479 -0.558619
H 3.245688 2.417424 0.276479
H 1.798995 4.373347 -0.256668
H 3.421277 -1.955692 1.599690
H 4.957761 -3.115604 -0.092837
H 3.488805 -3.388425 -1.076540
H 3.651320 -4.193194 0.510108


%chk=000211257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211257

0 1
O -0.546482 -0.104989 0.591840
O -1.937533 1.756647 0.007306
O 2.482577 0.055664 0.639673
O 1.701950 -1.300187 -1.161999
N 3.138461 -2.108517 0.521955
C -1.943485 0.249748 0.118185
C -2.165924 -0.367717 -1.267189
C -2.948451 -0.190381 1.175174
C -2.238431 -1.911560 -1.174411
C -3.019310 -1.737153 1.251525
C -3.296622 -2.361018 -0.138062
C 0.237678 1.016621 0.271361
C -0.574303 2.127004 -0.051797
C 1.632323 1.133644 0.282901
C -0.041746 3.389049 -0.329151
C 2.202629 2.400002 -0.000530
C 1.375967 3.507539 -0.292453
C 2.369210 -1.166072 -0.113277
C 3.293432 -3.468022 0.000150
H -1.348595 -0.053124 -1.940986
H -3.114572 0.040659 -1.667001
H -3.935333 0.222969 0.890776
H -2.665929 0.249875 2.147391
H -1.240879 -2.294875 -0.887020
H -2.471689 -2.326558 -2.172776
H -3.803997 -2.030690 1.973862
H -2.056147 -2.120642 1.640228
H -4.306269 -2.055679 -0.484231
H -3.305003 -3.464962 -0.059646
H -0.686597 4.239063 -0.564936
H 3.292449 2.493237 0.006713
H 1.837103 4.476298 -0.508922
H 3.606933 -1.825121 1.382747
H 4.349028 -3.686709 -0.245980
H 2.693161 -3.549626 -0.919745
H 2.931393 -4.218916 0.726424


