%chk=000258939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258939

0 1
S 1.595866 -3.856816 -0.827479
P 1.161592 -2.084677 -0.323583
O 2.555226 -1.193824 -0.325511
O -4.139380 1.233758 -0.144576
N 0.013768 -1.189035 -1.310738
N 0.359197 -1.786922 1.217466
C -1.016963 -0.701273 -0.474722
C -0.837663 -1.036684 0.907833
C -2.113024 0.053126 -0.896755
C -1.752345 -0.586584 1.861242
C -3.013799 0.482248 0.091274
C -2.848631 0.173232 1.456795
C 2.475442 0.190779 -0.123033
C 2.303466 0.715748 1.162577
C 2.707875 0.996284 -1.245869
C 2.361661 2.103690 1.315890
C 2.765916 2.379527 -1.062585
C 2.590177 2.932477 0.211504
C -4.427348 1.625917 -1.509068
H -0.125399 -1.287599 -2.317937
H 0.204213 -2.582652 1.861435
H -2.244062 0.302506 -1.941981
H -1.611075 -0.829253 2.914744
H -3.579512 0.535160 2.176353
H 2.128825 0.061727 2.016515
H 2.852444 0.543882 -2.223839
H 2.228855 2.540606 2.305482
H 2.949778 3.029656 -1.917257
H 2.633425 4.011730 0.344152
H -3.624239 2.256744 -1.900696
H -5.354146 2.201865 -1.383635
H -4.596540 0.742161 -2.130596


%chk=000258939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258939

0 1
S 1.699887 -3.970870 -1.162329
P 1.095517 -2.144403 -0.450779
O 2.582018 -1.156881 -0.331469
O -4.342440 1.187310 0.111224
N -0.113805 -1.141552 -1.233456
N 0.166794 -2.051809 1.028480
C -1.161410 -0.723642 -0.381637
C -0.999165 -1.247547 0.933768
C -2.257013 0.097849 -0.714812
C -1.942394 -0.948776 1.935857
C -3.202204 0.386204 0.304136
C -3.047186 -0.131897 1.614506
C 2.600934 0.260154 -0.217104
C 1.820662 0.971543 0.724094
C 3.508883 0.934279 -1.066795
C 1.953380 2.376343 0.803188
C 3.640915 2.336517 -0.966359
C 2.860397 3.063783 -0.036030
C -4.560559 1.742369 -1.224432
H -0.077158 -0.907825 -2.223257
H 0.382959 -2.626098 1.840523
H -2.361755 0.493918 -1.728471
H -1.829949 -1.346194 2.949893
H -3.802910 0.116167 2.364588
H 1.132733 0.442255 1.389805
H 4.101955 0.349105 -1.776153
H 1.348579 2.930726 1.529343
H 4.351039 2.859102 -1.616878
H 2.961362 4.151934 0.036220
H -3.734116 2.417986 -1.521925
H -5.495988 2.315895 -1.148839
H -4.676363 0.941559 -1.981498


