%chk=000223608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223608

0 1
S -0.084700 -1.840213 0.168876
O 0.297448 -2.870207 1.121687
O -0.601554 -2.253442 -1.118184
N -1.359166 -1.035616 1.029743
C 1.141267 -0.660724 0.002461
C 1.837278 -0.211169 1.149940
C 1.497962 -0.131425 -1.258604
C 3.205269 1.261266 -0.220874
C 2.857173 0.739824 1.033173
C 2.522849 0.819215 -1.361005
C 1.512212 -0.718639 2.514046
C 0.817021 -0.550524 -2.514082
C -2.215220 -0.027660 0.525805
C 4.303337 2.263835 -0.340592
C -2.190595 0.358352 -0.828787
C -3.098535 0.615591 1.424741
C -3.022427 1.390533 -1.263525
C -3.921173 1.641640 0.965026
C -3.884701 2.040595 -0.375787
H 3.385121 1.077797 1.921852
H 2.790785 1.217763 -2.337019
H -1.622572 -1.413475 1.950175
H 0.547664 -0.330348 2.873585
H 2.262073 -0.436208 3.265617
H 1.449847 -1.827722 2.551946
H 0.908268 -1.638540 -2.698621
H -0.280142 -0.374992 -2.473297
H 1.192460 -0.040081 -3.408684
H 4.160492 2.946256 -1.190219
H 4.405161 2.887390 0.558657
H 5.271281 1.759908 -0.493015
H -1.558226 -0.162842 -1.555518
H -3.137740 0.315259 2.467271
H -3.001924 1.687090 -2.312409
H -4.599823 2.137775 1.658886
H -4.526969 2.843436 -0.724965


%chk=000223608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223608

0 1
S -0.210885 -1.750828 0.557292
O 0.290978 -2.884352 1.616128
O -1.025983 -2.249697 -0.763120
N -1.384444 -0.535313 1.673818
C 1.216131 -0.563610 0.091501
C 2.031539 -0.116133 1.168335
C 1.418721 -0.202197 -1.267703
C 3.385807 1.116164 -0.505031
C 3.114682 0.731268 0.829230
C 2.527264 0.648106 -1.524858
C 1.805216 -0.475739 2.624367
C 0.562848 -0.634893 -2.445048
C -2.301151 0.227111 0.891736
C 4.579432 1.993473 -0.832793
C -1.831352 1.433120 0.297115
C -3.660591 -0.157901 0.712500
C -2.709483 2.238468 -0.454080
C -4.540356 0.668921 -0.016237
C -4.067503 1.864372 -0.608396
H 3.759260 1.094305 1.638749
H 2.713176 0.947148 -2.563294
H -1.862385 -1.270585 2.236116
H 0.768195 -0.246273 2.928499
H 2.499760 0.089708 3.266892
H 1.953214 -1.555390 2.796464
H 0.570140 -1.729377 -2.581181
H -0.496685 -0.359645 -2.308175
H 0.937771 -0.160735 -3.367563
H 4.447192 2.518102 -1.794495
H 4.754413 2.750439 -0.048059
H 5.501584 1.385795 -0.911844
H -0.788752 1.727877 0.455912
H -4.017340 -1.101109 1.144205
H -2.342650 3.166676 -0.905801
H -5.588093 0.373675 -0.138728
H -4.750170 2.498748 -1.184154


