%chk=000271246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271246

0 1
S 0.856946 2.685348 -1.083309
O -3.986283 1.435217 0.465367
N -3.544537 -0.766344 -0.072534
C 0.997605 1.495607 0.282243
C -0.009411 0.382208 0.112663
C 2.324652 0.781750 0.217135
C 0.670545 -0.864802 -0.058642
C 2.116287 -0.618697 0.007075
C -1.387902 0.456434 0.118600
C -0.052223 -2.034933 -0.236756
C 3.603241 1.297536 0.331582
C 3.194921 -1.484298 -0.090875
C -2.114662 -0.744827 -0.059898
C -1.453005 -1.975681 -0.239601
C 4.693624 0.411751 0.231252
C 4.492703 -0.952068 0.023366
C -4.402716 0.330679 0.189192
C -5.862832 -0.015620 0.092154
H 0.854599 2.059386 1.233668
H -1.907169 1.413291 0.251029
H 0.453680 -2.989532 -0.370032
H 3.770464 2.361655 0.488509
H 3.048098 -2.549031 -0.249855
H -2.018037 -2.893780 -0.377843
H 5.705632 0.804145 0.317893
H 5.349418 -1.620340 -0.051351
H 1.125832 1.859491 -2.117529
H -3.968025 -1.673387 -0.278955
H -6.148610 -0.366547 -0.908227
H -6.470815 0.882647 0.298942
H -6.166422 -0.777160 0.822336


%chk=000271246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271246

0 1
S 0.854376 2.942786 -0.946899
O -4.103693 1.526448 0.330630
N -3.566336 -0.729327 -0.047428
C 1.038884 1.495350 0.298182
C 0.012093 0.383826 0.125263
C 2.369852 0.762554 0.204822
C 0.682984 -0.865738 -0.031109
C 2.139477 -0.634733 0.018114
C -1.386018 0.484983 0.127449
C -0.073229 -2.046449 -0.192301
C 3.675025 1.273419 0.288492
C 3.227679 -1.528759 -0.081689
C -2.142446 -0.710905 -0.032050
C -1.479264 -1.962519 -0.191400
C 4.766688 0.374488 0.189163
C 4.542310 -1.013276 0.006716
C -4.462838 0.330960 0.125588
C -5.931912 -0.089346 0.049038
H 0.917292 2.024125 1.261561
H -1.898369 1.442905 0.232545
H 0.414381 -3.019498 -0.313746
H 3.844223 2.348796 0.409168
H 3.064535 -2.603108 -0.222602
H -2.075594 -2.875953 -0.315267
H 5.792608 0.753989 0.249177
H 5.398445 -1.692997 -0.069193
H 1.041654 2.168995 -2.080593
H -3.987497 -1.649588 -0.197596
H -6.170399 -0.542965 -0.930871
H -6.557147 0.804024 0.186147
H -6.182166 -0.822392 0.838288


