%chk=000261597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261597

0 1
S -1.430803 -0.404234 -1.891587
O -1.857184 -1.539245 1.974383
O -3.909050 0.262291 1.781913
O -2.704105 1.938364 -0.308975
N 0.347603 -1.187356 -0.187603
N 2.548774 -1.838387 -0.367086
N 0.727637 1.258943 0.266372
N 3.104591 1.843544 0.313945
N 4.831826 0.261605 -0.007684
C -1.808150 -0.581208 0.901923
C -1.107172 -1.259295 -0.290249
C -3.296503 -0.291968 0.617545
C -3.476247 0.771060 -0.498461
C -3.160509 0.115121 -1.842003
C 1.119357 -0.029752 0.000779
C 1.284418 -2.257168 -0.426481
C 2.488697 -0.458802 -0.103922
C 3.495157 0.541304 0.061335
C 1.768982 2.127212 0.402603
H -1.291459 0.347159 1.252099
H -1.432422 -2.332276 -0.353664
H -3.839900 -1.235172 0.371084
H -4.521228 1.175614 -0.455573
H -3.842611 -0.722382 -2.072635
H -3.277219 0.854623 -2.666613
H 0.948213 -3.267201 -0.618968
H -1.020639 -1.519557 2.487850
H -3.691005 -0.301520 2.566092
H -1.726154 1.767544 -0.326456
H 1.512504 3.182134 0.609363
H 5.518134 0.994042 0.092437
H 5.146864 -0.673139 -0.219865


%chk=000261597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261597

0 1
S -1.650938 -0.898140 -2.036289
O -2.066937 -1.890310 1.962261
O -3.945178 0.113079 1.820639
O -2.125030 1.898069 0.075012
N 0.331098 -1.292533 -0.140720
N 2.572350 -1.811393 -0.114102
N 0.509031 1.192913 -0.103778
N 2.834359 1.960593 -0.047303
N 4.671605 0.478504 -0.027985
C -1.868680 -0.835241 0.939107
C -1.123155 -1.461103 -0.268995
C -3.262908 -0.291842 0.599274
C -3.135838 0.945684 -0.332072
C -2.970167 0.468499 -1.786946
C 1.016755 -0.073836 -0.106866
C 1.320488 -2.297177 -0.156870
C 2.394224 -0.413860 -0.085105
C 3.320282 0.670607 -0.052409
C 1.485946 2.151994 -0.072332
H -1.287123 -0.002143 1.374008
H -1.334881 -2.542851 -0.257518
H -3.847910 -1.082402 0.075773
H -4.093100 1.495052 -0.258767
H -3.912434 0.040616 -2.167443
H -2.648344 1.310385 -2.419293
H 1.059074 -3.352816 -0.197348
H -1.292086 -1.909007 2.576884
H -3.817450 -0.623819 2.475776
H -1.163679 1.579326 -0.084696
H 1.143641 3.190221 -0.068420
H 5.285626 1.290743 -0.012289
H 5.051755 -0.465915 -0.039291


