%chk=000218162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218162

0 1
S 1.887400 -0.283130 1.120156
S 1.874942 1.159708 -0.357518
O -2.759023 -0.274768 0.040878
O -0.963527 2.058834 -1.536275
O 0.797519 2.186243 0.321631
O 3.147452 1.772161 -0.461072
O 1.184044 0.616704 -1.517450
N -0.747105 -2.317313 1.093920
N -0.494424 -1.623338 -1.227507
C -2.899450 -1.060033 1.255372
C -2.212577 -2.413157 1.016369
C -2.282933 1.074371 0.268826
C -0.034917 -1.902945 0.084612
C 1.459925 -1.836367 0.278038
C -2.298526 1.725953 -1.114566
H -3.989837 -1.179846 1.389791
H -2.469837 -0.537735 2.126590
H -2.574836 -2.862595 0.064140
H -2.510995 -3.118431 1.831072
H -2.966872 1.580462 0.972688
H -1.266129 1.038708 0.707271
H 1.801752 -2.652524 0.963725
H 2.022603 -1.975703 -0.666483
H -2.808347 2.708949 -1.108780
H -2.774099 1.067208 -1.866341
H -1.460678 -1.297463 -1.292351
H 0.127020 -1.090688 -1.835697
H -0.499383 1.261141 -1.941042
H 0.026138 2.509892 -0.295596


%chk=000218162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218162

0 1
S 1.698802 0.327233 1.166626
S 2.396181 1.171799 -1.076251
O -2.956168 -0.230733 0.130182
O -0.968285 1.396462 -1.038110
O 1.223965 2.410435 -1.353099
O 3.859166 1.835018 -1.061174
O 2.133244 -0.118669 -2.059119
N -0.884714 -2.276887 1.003226
N -0.393856 -1.172366 -1.138791
C -3.166542 -1.306125 1.114433
C -2.308223 -2.513863 0.690739
C -2.706349 1.109959 0.681131
C -0.078158 -1.683505 0.165209
C 1.354216 -1.448665 0.601534
C -2.208966 1.951803 -0.493457
H -4.240103 -1.579286 1.123794
H -2.863253 -0.979188 2.128935
H -2.526142 -2.729231 -0.381364
H -2.634815 -3.394446 1.274047
H -3.636240 1.553093 1.096488
H -1.936254 1.058840 1.478615
H 1.570487 -2.073283 1.481980
H 2.078819 -1.668775 -0.203404
H -1.991677 2.983296 -0.166792
H -2.970585 1.975173 -1.294420
H -1.232682 -1.564916 -1.580801
H 0.428689 -1.045949 -1.759471
H -0.885126 0.347915 -1.020263
H 0.159872 1.999159 -1.196022


