%chk=000245749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245749

0 1
S -0.064925 0.423572 -0.921062
O 0.124317 -0.780390 1.446429
O 7.032817 0.665207 0.656404
O 6.891958 -0.503464 -1.159574
N 6.405909 0.043497 -0.184322
C -3.890902 -0.391616 0.239831
C -4.589457 0.645762 -0.432036
C -2.466255 -0.474255 0.115357
C -1.804553 0.453996 -0.642791
C -3.852740 1.594586 -1.213280
C -4.625697 -1.334943 1.026102
C -2.487605 1.507911 -1.316003
C -6.012917 0.720512 -0.309573
C 2.188526 -0.235477 0.320906
C -5.991148 -1.238905 1.126486
C -6.693284 -0.198781 0.449678
C 0.713167 -0.318246 0.515002
C 2.954775 0.456841 1.271032
C 2.791715 -0.842364 -0.788983
C 4.934106 -0.055260 -0.006727
C 4.337206 0.551962 1.107883
C 4.175729 -0.754047 -0.955958
H -1.939801 -1.273043 0.645240
H -4.399376 2.389177 -1.720994
H -4.079266 -2.124642 1.541312
H -1.924938 2.235566 -1.902711
H -6.541791 1.518637 -0.828707
H -6.559273 -1.951868 1.722789
H -7.777111 -0.149408 0.548510
H 2.472530 0.916886 2.137382
H 2.191229 -1.386176 -1.523455
H 4.955995 1.089483 1.836063
H 4.669961 -1.220807 -1.816231


%chk=000245749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245749

0 1
S -0.142451 -0.069319 -1.456233
O 0.092178 0.170827 1.286493
O 7.108127 -0.042146 1.272743
O 7.100576 -0.299299 -0.994421
N 6.501859 -0.149948 0.138906
C -3.926451 -0.459370 0.244785
C -4.675084 0.553733 -0.472874
C -2.535131 -0.642467 -0.047332
C -1.910599 0.162571 -0.999820
C -3.995352 1.355010 -1.449030
C -4.601307 -1.260884 1.224823
C -2.636492 1.173078 -1.708104
C -6.068817 0.724178 -0.183531
C 2.214679 -0.001879 0.130876
C -5.960277 -1.071808 1.484811
C -6.700210 -0.071819 0.774920
C 0.717000 0.058612 0.210082
C 2.931670 0.110224 1.354467
C 2.925006 -0.163442 -1.088616
C 5.014705 -0.098355 0.138161
C 4.336626 0.064179 1.365905
C 4.330752 -0.213695 -1.091466
H -1.972674 -1.410701 0.491558
H -4.555599 2.125561 -1.991106
H -4.032987 -2.023835 1.769475
H -2.118495 1.796858 -2.443179
H -6.633835 1.491342 -0.726184
H -6.467425 -1.687804 2.235216
H -7.765497 0.065564 0.989850
H 2.366024 0.233364 2.282884
H 2.386109 -0.249793 -2.037032
H 4.910769 0.149211 2.291946
H 4.901505 -0.337843 -2.014972


