%chk=000224942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224942

0 1
S -1.548056 -1.087296 -1.818241
O -2.287104 -2.243330 -2.265664
O -1.031652 -0.100221 -2.733366
O 4.093148 0.858523 1.378848
N -2.478153 -0.265633 -0.654562
N -0.241780 -1.785202 -0.941136
C -3.162348 -1.095786 0.378012
C -1.954692 1.036768 -0.150931
C -4.303982 -0.293186 1.025298
C -3.091780 1.845597 0.495986
C -3.792680 1.036181 1.594107
C 0.873735 -1.068967 -0.413934
C 1.558640 -1.619388 0.696752
C 1.292324 0.154167 -0.961182
C 2.632219 -0.943702 1.257713
C 2.365702 0.847345 -0.394410
C 3.024759 0.295345 0.707879
C 4.626869 2.101263 0.865050
H -2.449834 -1.437097 1.162373
H -3.581194 -2.002766 -0.120012
H -1.537396 1.606485 -1.015605
H -1.130896 0.887229 0.583979
H -4.778973 -0.899204 1.818404
H -5.090360 -0.096430 0.268193
H -3.827980 2.132870 -0.282199
H -2.686827 2.788829 0.906393
H -4.634439 1.617397 2.014970
H -3.097103 0.850228 2.434469
H -0.183989 -2.806470 -0.852231
H 1.245414 -2.575209 1.113361
H 0.803078 0.569877 -1.851075
H 3.177293 -1.346481 2.109686
H 2.676154 1.794026 -0.827041
H 4.997055 1.965330 -0.155215
H 5.454932 2.293228 1.560057
H 3.874597 2.892580 0.924876


%chk=000224942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224942

0 1
S -1.539698 -0.922294 -1.857165
O -2.429396 -2.105616 -2.515731
O -0.997897 0.345134 -2.713089
O 4.137578 1.040376 1.438417
N -2.686260 -0.132996 -0.558034
N 0.191845 -1.914474 -1.306564
C -3.311636 -1.112270 0.358331
C -2.129669 1.068581 0.108949
C -4.533861 -0.408967 1.005693
C -3.328232 1.821733 0.741630
C -4.104845 0.899464 1.711578
C 1.139212 -1.154056 -0.592728
C 1.457575 -1.388304 0.783888
C 1.842542 -0.129387 -1.293687
C 2.470127 -0.657785 1.418809
C 2.835503 0.630391 -0.651161
C 3.158756 0.362950 0.706980
C 4.890477 2.101364 0.758005
H -2.611449 -1.441189 1.162958
H -3.630791 -1.989688 -0.230038
H -1.628150 1.687968 -0.653301
H -1.396568 0.804255 0.905143
H -5.008493 -1.107810 1.720789
H -5.269603 -0.185277 0.211132
H -3.996343 2.165430 -0.069839
H -2.946092 2.716949 1.268518
H -4.993077 1.425334 2.108529
H -3.460091 0.654989 2.581426
H -0.189449 -2.717707 -0.766634
H 0.918620 -2.166168 1.339960
H 1.588244 0.050488 -2.342021
H 2.744926 -0.844073 2.461322
H 3.356667 1.411134 -1.212657
H 5.455509 1.698922 -0.104220
H 5.589075 2.485545 1.514929
H 4.219647 2.913959 0.419484


