%chk=000218751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218751

0 1
S 7.307402 0.239670 -1.159349
S 7.985139 -0.042468 0.761851
O -3.961566 -0.468832 0.027159
O 6.916457 1.002499 1.526928
O 7.656761 -1.354445 1.200997
O 9.271523 0.549519 0.913631
N 3.339174 -0.471520 -0.621358
N -5.432457 1.349603 0.303282
C -0.352711 0.465063 -0.163303
C 0.885199 -0.422105 -0.341623
C -1.634433 -0.374710 -0.152979
C 2.170343 0.421460 -0.346093
C -2.861228 0.514324 0.021391
C 4.636693 0.269555 -0.536295
C 5.707578 -0.631642 -1.147550
C -5.227058 0.006002 0.170172
C -6.253213 -0.965958 0.168776
C -7.565095 -0.515457 0.313596
C -7.805776 0.869858 0.453071
C -6.726976 1.755792 0.442813
C -8.708377 -1.472610 0.322589
H -0.399571 1.214610 -0.978449
H -0.272206 1.043232 0.778459
H 0.814535 -0.992680 -1.290974
H 0.926402 -1.183144 0.461347
H -1.727606 -0.960354 -1.090521
H -1.603426 -1.130544 0.658242
H 2.265383 0.982379 0.608872
H 2.122987 1.178882 -1.160743
H -2.882407 1.060162 0.979121
H -3.027351 1.211997 -0.816058
H 3.345720 -1.250177 0.048521
H 4.907187 0.566028 0.505437
H 4.550803 1.216295 -1.117900
H 5.464720 -0.874678 -2.206216
H 5.789852 -1.605844 -0.621693
H -6.002682 -2.015529 0.057374
H -8.819241 1.239597 0.566736
H -6.871980 2.837698 0.548214
H -9.413404 -1.258729 -0.494915
H -8.392266 -2.518673 0.209760
H -9.276106 -1.406751 1.263004
H 7.287178 1.615925 2.183174


%chk=000218751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218751

0 1
S 7.289623 0.402907 -1.464332
S 8.392238 -0.221996 0.672183
O -4.112512 -0.626013 0.018959
O 8.273131 1.451296 1.482415
O 7.379345 -1.229126 1.447608
O 9.961904 -0.606034 0.595683
N 3.345551 -0.228576 -0.410597
N -5.554785 1.232730 0.302905
C -0.452492 0.439473 -0.101558
C 0.861165 -0.358152 -0.257844
C -1.702911 -0.469706 -0.104096
C 2.103180 0.553984 -0.279744
C -2.987852 0.344336 0.057509
C 4.604690 0.506531 -0.578562
C 5.688465 -0.473419 -1.065371
C -5.394664 -0.104456 0.146515
C -6.468083 -1.034770 0.102033
C -7.786696 -0.554857 0.226126
C -7.967826 0.851176 0.391925
C -6.839908 1.689376 0.423400
C -8.977944 -1.491626 0.184543
H -0.532589 1.178945 -0.925370
H -0.420001 1.023999 0.841296
H 0.836941 -0.951843 -1.191895
H 0.949358 -1.083170 0.578817
H -1.752361 -1.041766 -1.050494
H -1.635817 -1.209595 0.716795
H 2.107666 1.195093 0.636414
H 2.044039 1.243609 -1.145340
H -3.017882 0.893361 1.017433
H -3.120791 1.081853 -0.756432
H 3.408972 -1.016643 0.246683
H 4.962923 1.015835 0.346236
H 4.443099 1.295205 -1.338238
H 5.373406 -1.017607 -1.975053
H 5.917983 -1.222840 -0.278401
H -6.250515 -2.098694 -0.027373
H -8.971188 1.277519 0.493673
H -6.947586 2.772681 0.549229
H -9.652027 -1.236983 -0.654538
H -8.665740 -2.542434 0.063603
H -9.573603 -1.416521 1.113305
H 8.975992 1.480219 2.198449


