%chk=000258591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258591

0 1
O 2.628414 -0.831496 1.587136
O 2.131912 0.596389 -0.962397
N 0.184706 0.090063 0.274704
N -1.192362 -1.756518 0.290850
N -1.549729 1.839328 -0.221364
N -3.798073 0.892781 -0.445897
N -4.258229 -1.416225 -0.215445
C 2.360177 0.596490 1.408848
C 3.590823 -0.045093 0.813790
C 1.405251 0.906074 0.242787
C 3.356783 -0.172249 -0.694087
C 4.441421 0.465153 -1.534132
C -1.110009 0.558430 -0.002373
C 0.065335 -1.338923 0.428369
C -1.956520 -0.603457 0.021837
C -3.347231 -0.393791 -0.214524
C -2.892045 1.919898 -0.435421
H 2.300198 1.176605 2.323311
H 4.594594 -0.000779 1.220770
H 1.133007 1.990686 0.145673
H 3.125577 -1.217473 -0.994965
H 4.680652 1.484076 -1.202349
H 5.364553 -0.125455 -1.529866
H 4.107936 0.557645 -2.580767
H 0.939988 -1.942056 0.658124
H -3.305839 2.925970 -0.622782
H -3.955661 -2.365713 -0.061343
H -5.233528 -1.238160 -0.393886


%chk=000258591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258591

0 1
O 2.743034 -1.005483 1.545071
O 2.188409 -0.129875 -1.078136
N 0.127533 -0.177906 0.132340
N -1.428974 -1.844527 0.380631
N -1.388504 1.723308 -0.391708
N -3.751190 1.035619 -0.406817
N -4.449158 -1.180073 0.033653
C 2.297545 0.412700 1.254778
C 3.652474 -0.036460 0.816105
C 1.408553 0.501791 0.016468
C 3.631675 -0.215034 -0.698662
C 4.453566 0.860112 -1.426049
C -1.121129 0.420512 -0.094293
C -0.120542 -1.538730 0.405649
C -2.066338 -0.624287 0.071370
C -3.436243 -0.268969 -0.099162
C -2.732188 1.939781 -0.533927
H 2.096565 1.038043 2.128527
H 4.578979 0.220323 1.338289
H 1.176888 1.557567 -0.227999
H 3.954330 -1.229966 -0.993827
H 4.153295 1.876615 -1.114028
H 5.533364 0.732805 -1.222133
H 4.293028 0.774571 -2.513361
H 0.692927 -2.230811 0.603621
H -3.033332 2.962788 -0.778094
H -4.232307 -2.149021 0.256995
H -5.410159 -0.873194 -0.100699


