%chk=000084929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000084929

0 1
S -1.620191 1.160303 -0.138691
O -0.124559 0.882268 -0.830326
O -2.507212 1.496429 -1.214851
O -1.371381 2.076370 0.955011
N 1.333768 -0.084948 0.794881
C -0.895288 -1.266026 0.907743
C 0.220301 -0.524618 1.674017
C -2.090846 -0.394516 0.543336
C 1.089475 1.110406 -0.040818
C 2.262772 -1.056197 0.379526
C 2.140328 1.346356 -1.077573
C 3.170072 -0.799198 -0.600320
C 3.105470 0.442282 -1.338586
H -0.473953 -1.724975 -0.014984
H -1.249382 -2.120794 1.521278
H 0.635312 -1.184041 2.469485
H -0.178533 0.370239 2.215151
H -2.728592 -0.236146 1.440957
H -2.753844 -0.948623 -0.157694
H 0.904646 1.993093 0.627228
H 2.266012 -1.994697 0.941797
H 2.023021 2.269472 -1.639700
H 3.949121 -1.511627 -0.848969
H 3.861383 0.615988 -2.104898


%chk=000084929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084929

0 1
S -1.751139 1.215554 -0.237154
O -0.099376 0.821322 -1.033871
O -2.853166 1.544745 -1.375029
O -1.477702 2.273411 0.981357
N 1.341400 -0.150984 0.706888
C -0.912884 -1.294338 0.972237
C 0.276416 -0.533021 1.660566
C -2.169073 -0.487860 0.640571
C 1.118854 1.058365 -0.066512
C 2.289880 -1.092314 0.325431
C 2.235096 1.389104 -0.990615
C 3.231467 -0.828977 -0.651522
C 3.208705 0.461578 -1.298769
H -0.529839 -1.785772 0.061300
H -1.248001 -2.098463 1.658302
H 0.724185 -1.184560 2.430276
H -0.089185 0.383105 2.160120
H -2.731058 -0.144378 1.524285
H -2.823679 -0.989342 -0.088420
H 0.779251 1.883297 0.585173
H 2.264770 -2.039318 0.874064
H 2.203617 2.376488 -1.457466
H 3.989093 -1.576438 -0.895166
H 3.990267 0.715596 -2.023045


