%chk=000258712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258712

0 1
S 1.183206 3.070223 -0.342589
O 0.652039 -1.691478 -0.000327
O -3.014487 1.439803 -1.142890
N 2.786057 -1.281690 -0.607889
N -3.587331 -0.592577 -0.190882
N -1.310030 0.136866 -0.215990
N 2.035674 1.589490 -0.346401
N -0.382972 2.382097 -0.288788
C 4.647384 -2.809680 -0.741400
C 5.097406 -1.434773 -1.271127
C -5.701593 -0.600249 1.014567
C -4.751339 -1.589524 1.711744
C 3.121716 -2.738767 -0.576676
C 3.969577 -0.440863 -0.942798
C -5.044525 -0.264940 -0.333620
C -3.378830 -1.442819 1.024745
C 1.520240 -0.858338 -0.293066
C -2.680465 0.449199 -0.528074
C 1.176600 0.597342 -0.322991
C -0.267125 1.058167 -0.294167
H 4.938487 -3.619727 -1.431512
H 5.134871 -3.031961 0.225321
H 6.050774 -1.121444 -0.812886
H 5.273636 -1.477758 -2.361333
H -6.706694 -1.031577 0.876960
H -5.833164 0.312060 1.624197
H -4.681376 -1.383336 2.792815
H -5.125248 -2.624177 1.613473
H 2.583469 -3.256795 -1.400128
H 2.768968 -3.189729 0.375930
H 4.229086 0.209908 -0.078036
H 3.736634 0.226726 -1.800174
H -5.440924 -0.901793 -1.153799
H -5.197355 0.795254 -0.632195
H -2.632561 -1.004176 1.718632
H -2.986579 -2.425973 0.684860
H -1.020929 -0.860989 -0.070109


%chk=000258712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258712

0 1
S 1.294072 3.155075 -1.498263
O 0.418141 -1.424065 0.061029
O -3.144886 2.037495 -0.569763
N 2.643833 -1.205875 -0.504366
N -3.517485 -0.131272 0.204954
N -1.331492 0.524715 -0.308712
N 2.071799 1.581887 -1.161430
N -0.373238 2.619038 -1.081307
C 4.424593 -2.733326 -0.061116
C 4.858499 -1.763697 -1.189153
C -5.413155 -1.092824 1.262083
C -4.445962 -2.229097 0.836848
C 2.885605 -2.611145 -0.058949
C 3.883651 -0.571834 -1.044920
C -4.973098 0.099040 0.381134
C -3.099221 -1.497846 0.611633
C 1.385678 -0.686127 -0.389020
C -2.703437 0.896747 -0.248489
C 1.101704 0.736561 -0.766860
C -0.274018 1.317299 -0.716563
H 4.755928 -3.770636 -0.233627
H 4.834476 -2.399022 0.909545
H 5.910145 -1.443469 -1.104426
H 4.725135 -2.244587 -2.175769
H -6.473734 -1.354818 1.110690
H -5.267947 -0.848461 2.330543
H -4.360394 -3.030813 1.589542
H -4.790472 -2.682371 -0.110706
H 2.408669 -3.311891 -0.771184
H 2.418602 -2.777176 0.926007
H 4.258263 0.189486 -0.336207
H 3.675460 -0.053159 -1.993014
H -5.486681 0.097173 -0.600930
H -5.147311 1.085632 0.842585
H -2.496949 -1.467650 1.543039
H -2.489367 -1.990147 -0.169302
H -1.003106 -0.426838 -0.032159


