%chk=000195582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195582

0 1
S 2.263962 -0.840598 -0.689457
S 0.180164 -2.287158 2.251216
O 1.757637 0.748187 -0.386874
O -1.016309 2.841264 0.693076
O 0.608808 -1.053246 1.153072
O 1.230350 -1.499386 -1.439365
O 2.860017 -1.485394 0.455627
O -2.455556 0.576359 0.399999
O 0.642364 -1.873296 3.539264
O -1.220258 -2.533948 2.023056
N 3.514865 -0.373686 -1.747968
N 1.149456 -3.509109 1.594499
C 0.409879 0.969761 0.073556
C 0.276020 2.498527 0.141007
C 0.243752 0.303269 1.445955
C -2.078656 2.812807 -0.209619
C -2.900741 1.657723 -0.314334
C -2.402337 3.976229 -0.906612
C -4.050014 1.696649 -1.112542
C -3.551628 4.003936 -1.706190
C 4.801820 0.010732 -1.121703
C -4.364793 2.872859 -1.802997
C 0.597386 -4.166413 0.382144
C -3.243882 -0.642707 0.362636
H -0.298275 0.520475 -0.666621
H 0.967717 2.949382 0.877962
H 0.427256 2.963580 -0.846176
H -0.807321 0.376830 1.797243
H 0.938664 0.691655 2.212721
H 3.268826 0.247458 -2.529064
H -1.765882 4.854610 -0.807515
H 2.153191 -3.252498 1.455877
H -4.697477 0.828840 -1.199792
H -3.810359 4.911686 -2.246697
H 5.075960 -0.710365 -0.326050
H 4.798178 1.022246 -0.682342
H 5.600615 -0.033378 -1.884142
H -5.260494 2.901049 -2.424087
H -0.438196 -4.508902 0.562419
H 1.203126 -5.062068 0.157506
H 0.596686 -3.518362 -0.518570
H -2.640968 -1.316219 1.004781
H -3.298386 -1.029920 -0.656793
H -4.229665 -0.469561 0.798693


%chk=000195582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195582

0 1
S 2.332332 -0.737632 -1.034307
S 0.214044 -2.432899 2.368744
O 1.831722 0.951724 -0.275740
O -1.124806 2.910951 0.816285
O 0.096243 -1.081930 1.042957
O 1.191666 -1.208937 -2.067360
O 2.960941 -1.776317 0.042199
O -2.694382 0.669186 0.656574
O 1.045129 -1.823431 3.607382
O -1.262361 -3.053270 2.572120
N 3.750689 -0.129283 -1.963111
N 1.224553 -3.606973 1.455867
C 0.445758 1.081532 0.211052
C 0.251107 2.615192 0.385710
C 0.222130 0.311355 1.514765
C -2.135724 2.842225 -0.180700
C -2.993911 1.701153 -0.232378
C -2.350091 3.933650 -1.044296
C -4.061713 1.684338 -1.163435
C -3.413692 3.909110 -1.976316
C 4.989056 0.119542 -1.191195
C -4.264671 2.783533 -2.028871
C 0.487088 -4.444748 0.479047
C -3.479227 -0.572498 0.581204
H -0.258556 0.707548 -0.557003
H 0.896413 2.998906 1.192096
H 0.490532 3.124294 -0.567306
H -0.713486 0.652659 1.986837
H 1.085245 0.418685 2.198799
H 3.425951 0.639930 -2.570001
H -1.692463 4.805981 -0.959163
H 2.006469 -3.049274 1.037776
H -4.733230 0.822170 -1.216412
H -3.579926 4.762491 -2.641213
H 5.191774 -0.756874 -0.556299
H 4.952644 1.029085 -0.561985
H 5.805835 0.209021 -1.928914
H -5.095269 2.756954 -2.742496
H -0.400721 -4.879698 0.964374
H 1.172290 -5.266052 0.204582
H 0.183355 -3.898908 -0.435170
H -3.002718 -1.253142 1.301776
H -3.427416 -1.011092 -0.433292
H -4.533104 -0.388359 0.863614


