%chk=000210578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210578

0 1
S -3.414602 2.152679 0.587205
O -0.130272 0.215781 0.967353
N 2.974467 0.502842 0.747978
N -1.780131 1.909377 1.141022
C 5.055705 -0.073398 -0.453209
C 4.192109 -0.366432 0.783906
C 6.367049 -0.868656 -0.413111
C 2.035685 0.180546 1.864973
C 0.793714 1.061954 1.756332
C 7.229697 -0.589716 -1.641684
C -2.287163 -0.085538 -0.082601
C -1.356231 0.732177 0.717353
C -3.511890 0.605756 -0.238100
C -2.112496 -1.349580 -0.652067
C -4.570225 0.056245 -0.954928
C -3.172048 -1.903840 -1.371755
C -4.385784 -1.208115 -1.520632
H 5.270690 1.013791 -0.505598
H 4.497641 -0.310282 -1.378914
H 3.953955 -1.450741 0.837154
H 4.759178 -0.116557 1.708508
H 6.151366 -1.953070 -0.347122
H 6.933605 -0.614845 0.504735
H 2.554882 0.394161 2.827663
H 1.726893 -0.890858 1.895648
H 2.486349 0.382020 -0.148671
H 0.954386 2.006624 1.205058
H 0.318863 1.269149 2.729893
H 8.167295 -1.155677 -1.604320
H 6.715628 -0.866818 -2.569088
H 7.491068 0.472326 -1.718329
H -1.167666 -1.878435 -0.529530
H -5.510651 0.590475 -1.072809
H -3.061555 -2.887698 -1.825580
H -5.196210 -1.666347 -2.088635


%chk=000210578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210578

0 1
S -3.498323 2.068337 0.756589
O -0.048614 0.226511 1.092469
N 2.843400 0.384143 0.879490
N -1.798480 1.806015 1.375196
C 4.850316 -0.181121 -0.476685
C 4.172855 -0.261834 0.904677
C 6.244584 -0.847510 -0.508294
C 2.113735 0.353069 2.159721
C 0.766609 1.053978 2.036902
C 6.914553 -0.761722 -1.896554
C -2.161749 -0.065058 -0.108026
C -1.318462 0.687883 0.816165
C -3.429320 0.565625 -0.265087
C -1.870044 -1.261952 -0.806615
C -4.417594 0.023524 -1.113645
C -2.851357 -1.808278 -1.654906
C -4.114177 -1.168736 -1.806187
H 4.931405 0.883821 -0.769054
H 4.198440 -0.667520 -1.233991
H 4.126878 -1.333930 1.230332
H 4.798667 0.267142 1.652357
H 6.151667 -1.911030 -0.206750
H 6.896753 -0.364986 0.248109
H 2.707859 0.897677 2.921140
H 1.949456 -0.681024 2.555284
H 2.255977 0.015003 0.118370
H 0.870305 2.067936 1.612056
H 0.231413 1.111570 3.001906
H 7.910723 -1.241089 -1.895939
H 6.297884 -1.263990 -2.665845
H 7.045517 0.291539 -2.208459
H -0.894615 -1.740650 -0.675170
H -5.391864 0.506861 -1.236193
H -2.645204 -2.732792 -2.204170
H -4.865892 -1.608111 -2.471093


