%chk=000202512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202512

0 1
O 1.063436 2.273017 -0.206114
O 1.262060 -2.300899 0.210296
N 1.195982 -0.011541 0.004056
N -5.215580 1.013485 -0.125741
C -1.667116 -0.131817 0.015549
C -1.009784 1.121183 -0.125037
C -0.905361 -1.332926 0.150959
C -3.089234 -0.206659 0.023750
C 0.457337 1.223459 -0.118991
C 0.579055 -1.298703 0.130079
C -3.833962 1.027758 -0.124343
C -1.761143 2.288198 -0.265635
C -1.539250 -2.554262 0.297597
C -3.706225 -1.480196 0.176166
C 2.656572 0.055171 -0.002333
C -3.157819 2.251223 -0.267797
C -2.953750 -2.626408 0.311635
C 3.384427 -0.777843 -0.867280
C 3.311450 0.952218 0.856913
C 4.779388 -0.708048 -0.863070
C 4.706795 1.011588 0.841106
C 5.442040 0.184056 -0.013807
H -1.241176 3.249160 -0.375315
H -0.944354 -3.470050 0.402202
H -4.795442 -1.549407 0.186230
H -3.712396 3.179128 -0.380879
H -3.432075 -3.597816 0.429599
H 2.869844 -1.486312 -1.515694
H 2.738595 1.611171 1.508907
H -5.742863 1.862824 -0.228987
H -5.739349 0.162794 -0.027781
H 5.351398 -1.355092 -1.526499
H 5.222018 1.709259 1.499765
H 6.528580 0.234382 -0.018302


%chk=000202512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202512

0 1
O 1.091388 2.314742 -0.329306
O 1.287851 -2.331009 0.344793
N 1.199896 -0.009301 0.008517
N -5.255462 1.013971 -0.162995
C -1.668125 -0.126493 0.020434
C -1.001711 1.124864 -0.162770
C -0.902191 -1.322915 0.199228
C -3.110734 -0.200301 0.027866
C 0.470420 1.222777 -0.171321
C 0.587982 -1.287088 0.192682
C -3.870478 1.025613 -0.159571
C -1.769147 2.292646 -0.341139
C -1.540568 -2.559103 0.385386
C -3.726874 -1.475417 0.219087
C 2.657331 0.055244 -0.001107
C -3.176927 2.248424 -0.341349
C -2.958042 -2.634581 0.396231
C 3.383574 -0.655701 -0.981265
C 3.330980 0.827659 0.969919
C 4.793541 -0.594188 -0.986337
C 4.740954 0.890122 0.956225
C 5.476443 0.179154 -0.019656
H -1.238952 3.240380 -0.480944
H -0.918409 -3.449627 0.519873
H -4.818798 -1.575108 0.231657
H -3.748962 3.172660 -0.483596
H -3.450946 -3.600756 0.542704
H 2.851872 -1.259585 -1.722312
H 2.757582 1.382962 1.717671
H -5.770371 1.880500 -0.295843
H -5.789975 0.160578 -0.037435
H 5.355819 -1.150510 -1.744171
H 5.262115 1.494349 1.706717
H 6.571023 0.227132 -0.026670


