%chk=000297259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297259

0 1
S -0.101321 0.367050 -0.908825
O -3.480349 0.329941 0.960437
O -0.377086 1.731175 -1.414940
O -2.909660 -0.479519 -1.083860
O 0.596480 -2.036953 0.004266
O 2.467816 -2.825431 0.768957
N 2.172230 1.674782 0.256589
N 3.393660 -0.083461 1.038712
N 1.750868 -1.914279 0.433541
C 1.420839 0.551504 0.020532
C 2.188036 -0.531620 0.504111
C -1.201054 0.120640 0.528848
C 3.377440 1.255756 0.884312
C 1.819297 3.058768 -0.065812
C -2.581394 -0.061700 0.000216
C -4.908804 0.195063 0.658083
C -5.326398 -1.254571 0.775339
H -1.153063 0.937576 1.274954
H -0.884823 -0.801700 1.074539
H 4.160396 1.938008 1.185684
H 2.674950 3.593479 -0.514194
H 0.974700 3.102036 -0.804307
H 1.491151 3.605605 0.836903
H -5.343498 0.842429 1.441716
H -5.092963 0.613405 -0.347663
H -6.415014 -1.365819 0.702282
H -4.880554 -1.864693 -0.025709
H -5.009281 -1.692870 1.730390


%chk=000297259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297259

0 1
S 0.307299 -0.478990 -1.587122
O -2.197359 0.125341 0.491057
O -0.538127 0.742249 -2.338883
O -3.385687 -1.049756 -1.145616
O 1.871503 -2.410930 -0.124503
O 3.535318 -2.040043 1.410010
N 0.994324 1.606911 0.368770
N 2.600512 0.648160 1.679793
N 2.545009 -1.645087 0.702482
C 1.095040 0.283525 -0.043708
C 2.096952 -0.275136 0.774972
C -1.056469 -1.621088 -0.664617
C 1.917021 1.774866 1.410318
C 0.061104 2.648848 -0.117021
C -2.337391 -0.854210 -0.492664
C -3.415271 0.959405 0.760108
C -4.351700 0.252576 1.742476
H -0.570266 -1.916666 0.273564
H -1.182114 -2.467825 -1.353085
H 2.040247 2.722636 1.929251
H 0.603903 3.603611 -0.205666
H -0.335934 2.335648 -1.096968
H -0.774184 2.756625 0.594283
H -3.001559 1.889989 1.181518
H -3.913233 1.164360 -0.203368
H -5.195366 0.921404 1.994564
H -4.766365 -0.667234 1.297888
H -3.824602 -0.004593 2.677272


