%chk=000216915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216915

0 1
S 5.867561 0.793433 0.140130
S -5.243263 1.326975 0.044219
O 1.504202 1.648160 0.100651
O -5.221451 -2.524145 0.038115
O -6.796917 -1.030620 0.026307
N -0.451827 0.198065 0.083509
N 2.872594 1.511683 0.112275
N -5.624634 -1.376978 0.036136
C 3.174979 0.196393 0.114449
C 4.519415 -0.311524 0.125843
C -2.708257 0.962733 0.064769
C 1.948622 -0.585033 0.103693
C 0.932530 0.338847 0.095328
C -3.287764 -0.354683 0.057562
C 4.966317 -1.607022 0.127624
C -4.660599 -0.300577 0.046182
C -1.264163 1.216244 0.077280
C -3.658166 1.967923 0.058660
C 6.402878 -1.703833 0.140606
C 7.028919 -0.491363 0.148520
H 1.876592 -1.656165 0.102654
H -2.690255 -1.267038 0.060955
H 4.331138 -2.482420 0.120219
H -0.968696 2.281151 0.080464
H -3.471830 3.034149 0.062157
H 6.907462 -2.661188 0.143508
H 8.087312 -0.290569 0.158583


%chk=000216915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216915

0 1
S 5.957579 0.838431 0.140344
S -5.354986 1.382879 0.043108
O 1.504082 1.709919 0.101567
O -5.088714 -2.607218 0.037786
O -6.868601 -1.161317 0.024864
N -0.434699 0.219454 0.083318
N 2.950742 1.573107 0.113939
N -5.600834 -1.423156 0.037465
C 3.184028 0.223000 0.114556
C 4.542218 -0.288714 0.125963
C -2.720855 0.973256 0.064766
C 1.957001 -0.531370 0.103094
C 0.928574 0.399760 0.095196
C -3.310475 -0.345283 0.058061
C 4.964104 -1.616313 0.127913
C -4.690932 -0.299426 0.046532
C -1.283824 1.228675 0.077262
C -3.683551 1.991151 0.057994
C 6.393489 -1.770322 0.140642
C 7.071995 -0.561633 0.148476
H 1.837888 -1.610145 0.100964
H -2.722108 -1.263697 0.061795
H 4.271589 -2.461325 0.120446
H -0.957667 2.284042 0.081243
H -3.514370 3.067737 0.060853
H 6.896366 -2.739367 0.143840
H 8.144660 -0.379526 0.158411


