%chk=000249658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249658

0 1
S -0.170953 -1.913013 1.179753
O -0.761577 1.696542 -0.490531
O -2.412296 0.073033 -1.544915
O -3.277471 1.017122 1.884821
O -4.917154 -0.836424 0.941818
O -6.568899 -0.086246 -1.354580
N 1.479069 0.038873 0.446755
N 3.228822 0.824737 1.718275
N 2.628684 0.010228 -1.786489
N 4.947254 0.789480 -1.654590
N 5.966433 1.484338 0.362867
C -0.959391 0.545630 0.352876
C -2.344302 0.037107 -0.121611
C 0.159349 -0.483886 0.092590
C -3.462653 0.939815 0.471295
C -4.877915 0.392543 0.186859
C 2.553871 0.227333 -0.432727
C -5.140304 0.111774 -1.296388
C 1.959460 0.412879 1.751559
C 3.634437 0.723685 0.376230
C 0.832939 -3.234636 0.410494
C 4.864931 1.005709 -0.292537
C 0.653065 -4.453153 1.287476
C 3.845231 0.312188 -2.315337
H -0.994759 0.891970 1.414765
H -2.531450 -1.035653 0.130209
H 0.155407 -0.781105 -0.997613
H -3.348740 1.994492 0.128543
H -5.660462 1.071285 0.603673
H -4.618235 -0.800415 -1.643692
H -4.860793 0.963321 -1.940604
H 0.147173 2.054725 -0.406671
H -1.963140 0.891212 -1.892915
H 1.328513 0.340762 2.629521
H -3.611315 0.185315 2.315898
H 0.486313 -3.416949 -0.624590
H 1.892703 -2.918985 0.355041
H -5.782484 -1.282102 0.791375
H 1.003296 -4.286406 2.316491
H -0.395772 -4.778256 1.347105
H 1.226551 -5.304891 0.892230
H -6.830694 -0.368212 -2.251998
H 3.968113 0.157916 -3.401965
H 6.822637 1.672001 -0.135107
H 5.936509 1.646217 1.358141


%chk=000249658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249658

0 1
S -0.211810 -2.042899 1.339063
O -0.682228 1.795414 -0.175112
O -2.254872 0.194377 -1.545119
O -3.441723 1.022837 1.939860
O -5.111724 -0.727722 0.853783
O -6.581109 -0.259832 -1.406584
N 1.456718 0.059040 0.551989
N 3.239058 0.980593 1.676319
N 2.503530 -0.228307 -1.688958
N 4.833875 0.565312 -1.725874
N 5.912212 1.481943 0.166989
C -0.996613 0.535013 0.531773
C -2.347601 0.103492 -0.078841
C 0.124459 -0.504648 0.280064
C -3.497218 0.995056 0.467174
C -4.907528 0.513119 0.071973
C 2.504395 0.151117 -0.379630
C -5.177029 0.228590 -1.405844
C 1.963280 0.562103 1.767075
C 3.588831 0.728597 0.334333
C 1.000925 -3.229225 0.476121
C 4.794584 0.933264 -0.400345
C 0.924291 -4.604961 1.151375
C 3.710949 0.015493 -2.283605
H -1.135145 0.720616 1.614606
H -2.553720 -0.953965 0.157073
H 0.127223 -0.806414 -0.782702
H -3.337407 2.035768 0.135111
H -5.637538 1.274696 0.419453
H -4.487776 -0.538588 -1.797616
H -5.077341 1.152631 -2.008177
H 0.184304 2.157209 0.135030
H -1.727119 1.020252 -1.730460
H 1.368148 0.570750 2.677139
H -3.964866 0.228298 2.240653
H 0.714392 -3.276450 -0.587809
H 2.010508 -2.792950 0.560111
H -5.973288 -1.113698 0.547053
H 1.196572 -4.544572 2.220043
H -0.089905 -5.035293 1.075840
H 1.627964 -5.301229 0.659274
H -6.805042 -0.629475 -2.295421
H 3.793838 -0.263114 -3.338280
H 6.745997 1.603514 -0.404212
H 5.902549 1.756147 1.147115


