%chk=000284427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284427

0 1
S -0.362724 2.425878 -0.319995
O -0.438704 3.673945 0.397557
O 0.435233 2.327256 -1.512064
O 6.153232 -0.680080 0.022562
O 5.158453 -2.373123 -0.884039
N -1.082874 0.184667 0.895002
N 5.153402 -1.292746 -0.315787
C 0.054467 1.118955 0.881125
C -2.001993 1.809085 -0.642931
C -2.094561 0.534937 0.151576
C 1.364170 0.459414 0.562098
C -3.309648 -0.302788 0.069432
C 2.550713 1.127923 0.921517
C 1.429884 -0.787183 -0.080534
C -4.562257 0.279067 -0.189541
C -3.213089 -1.692298 0.257822
C 3.789649 0.561816 0.632611
C 2.666493 -1.362815 -0.370204
C 3.841440 -0.685269 -0.011434
C -5.701863 -0.524078 -0.266487
C -4.357643 -2.489740 0.176491
C -5.601366 -1.908328 -0.086691
H 0.122150 1.555943 1.924109
H -2.788463 2.536754 -0.356135
H -2.188579 1.627368 -1.722467
H 2.512742 2.095937 1.423997
H 0.514238 -1.318197 -0.348577
H -4.654397 1.355816 -0.323798
H -2.243729 -2.146344 0.476834
H 4.720363 1.075165 0.900852
H 2.730446 -2.334427 -0.873374
H -6.672592 -0.070732 -0.465413
H -4.278446 -3.567018 0.322321
H -6.493150 -2.531860 -0.149433


%chk=000284427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284427

0 1
S -2.356825 3.712247 -0.948811
O -2.767550 4.922641 0.066002
O -3.625876 3.076846 -1.757306
O 6.549890 -0.978027 0.169069
O 5.658421 -2.769311 1.266854
N -0.784816 0.077917 0.533106
N 5.553546 -1.634814 0.660535
C 0.298859 0.665970 0.105608
C -2.254269 1.916226 1.111655
C -2.063665 0.661010 0.539660
C 1.634126 0.060541 0.254067
C -3.157593 -0.178374 -0.005027
C 2.767393 0.742156 -0.269062
C 1.808062 -1.189207 0.914459
C -4.419312 0.389105 -0.348153
C -2.942981 -1.570403 -0.224048
C 4.056651 0.193682 -0.140619
C 3.088102 -1.749051 1.050631
C 4.195328 -1.046458 0.519002
C -5.439112 -0.423204 -0.883098
C -3.968666 -2.376735 -0.753370
C -5.222440 -1.806645 -1.082966
H 0.257112 1.650520 -0.403168
H -1.423131 2.445191 1.588068
H -3.257479 2.289567 1.331850
H 2.635481 1.704069 -0.777937
H 0.925155 -1.697818 1.312924
H -4.598785 1.462590 -0.238193
H -1.974054 -2.003716 0.041223
H 4.943838 0.696411 -0.533559
H 3.252018 -2.705807 1.553006
H -6.399440 0.027231 -1.154391
H -3.796101 -3.447451 -0.906769
H -6.020889 -2.434000 -1.494240


