%chk=000179725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179725

0 1
S -3.066397 -0.967988 0.222163
O 0.811109 2.233538 -0.203984
N 0.631808 -0.922542 1.513166
N -0.897367 0.728731 -0.094935
N -0.611734 -1.341772 1.088297
N -1.847336 1.606238 -0.679127
C 2.103138 -0.666774 -0.588048
C 1.393142 0.012832 0.623507
C 0.455632 1.113040 0.104066
C 3.002961 0.343257 -1.302740
C 2.922534 -1.876860 -0.130895
C -1.375229 -0.527177 0.415819
C -3.287283 -1.058760 -1.563518
H 2.165745 0.503597 1.279708
H 1.315727 -1.020914 -1.300661
H 3.849810 0.653502 -0.679321
H 3.416063 -0.077491 -2.226351
H 2.462690 1.260952 -1.577831
H 3.634063 -1.619458 0.661893
H 3.512129 -2.282165 -0.964284
H 2.289848 -2.696733 0.227879
H 1.196552 -1.749680 1.775458
H -2.243461 2.220104 0.049258
H -1.356508 2.226712 -1.342485
H -3.108140 -0.087777 -2.048155
H -4.329792 -1.349255 -1.751502
H -2.631004 -1.805559 -2.022779


%chk=000179725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179725

0 1
S -3.040477 -1.072014 0.115433
O 0.775461 2.358383 -0.122348
N 0.665781 -0.777324 1.584176
N -0.896198 0.751369 0.066396
N -0.572162 -1.325331 1.214977
N -1.833789 1.667611 -0.516100
C 2.006556 -0.707931 -0.613264
C 1.405887 0.067557 0.614709
C 0.436870 1.172805 0.184964
C 2.862760 0.239699 -1.485697
C 2.840982 -1.918106 -0.130608
C -1.328076 -0.554551 0.456473
C -3.022519 -1.056612 -1.779996
H 2.234725 0.558573 1.157462
H 1.161110 -1.090574 -1.222012
H 3.738122 0.607995 -0.916848
H 3.238793 -0.294918 -2.376941
H 2.292513 1.121793 -1.822671
H 3.651412 -1.595725 0.552578
H 3.315393 -2.419445 -0.993294
H 2.221418 -2.672021 0.387780
H 1.216091 -1.444449 2.127425
H -2.560653 1.912516 0.172441
H -1.284579 2.490398 -0.816993
H -2.737513 -0.048294 -2.114723
H -4.052020 -1.294699 -2.090529
H -2.327188 -1.825110 -2.148191


