%chk=000267917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267917

0 1
S -0.686566 -0.304587 -0.557356
O -1.211614 -1.298037 0.342966
O -0.912264 -0.425445 -1.973934
O 0.838905 0.957323 1.875363
O 5.028487 -0.234735 0.376915
N -1.169980 1.257802 -0.077226
N 1.850283 -0.780028 -1.098822
N 2.940914 0.395634 1.191438
N 3.165937 -0.779021 -0.890654
C -3.687150 1.575005 0.003029
C -2.367989 1.837955 -0.738542
C -4.181472 0.128627 -0.124711
C 1.063476 -0.218237 -0.220888
C -5.576723 -0.041335 0.471596
C 1.511201 0.428225 1.023443
C 3.828224 -0.195163 0.264035
H -3.587300 1.841220 1.073566
H -4.458765 2.264505 -0.396633
H -2.427947 1.475129 -1.792991
H -2.194363 2.939251 -0.805039
H -3.477566 -0.565791 0.384326
H -4.190764 -0.179332 -1.189310
H -1.137611 1.479545 0.933543
H -5.597734 0.224921 1.534485
H -6.318449 0.580660 -0.041104
H -5.910876 -1.083042 0.391810
H 3.348389 0.821774 2.038411
H 3.748018 -1.235524 -1.615214


%chk=000267917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267917

0 1
S -0.737589 -0.438507 -0.557081
O -1.229138 -1.584526 0.493857
O -1.013722 -0.607439 -2.143631
O 0.785000 0.696981 2.000027
O 5.148787 -0.108864 0.434742
N -1.176311 1.314227 -0.133836
N 1.950494 -0.649493 -1.176350
N 2.962519 0.278873 1.233825
N 3.298256 -0.586679 -0.927903
C -3.737183 1.627342 -0.094806
C -2.386301 1.857355 -0.808917
C -4.233940 0.163378 -0.096882
C 1.144510 -0.245016 -0.229508
C -5.619549 0.019207 0.569063
C 1.551807 0.281494 1.094132
C 3.909745 -0.133928 0.269191
H -3.672347 2.000740 0.949086
H -4.491594 2.263340 -0.602901
H -2.401585 1.438852 -1.833535
H -2.185277 2.942438 -0.908171
H -3.509447 -0.491015 0.426691
H -4.282558 -0.202250 -1.142428
H -1.164689 1.369826 0.903327
H -5.590419 0.351904 1.623980
H -6.381956 0.626571 0.044957
H -5.957585 -1.032499 0.557716
H 3.344100 0.622507 2.123130
H 3.904672 -0.907519 -1.685273


