%chk=000201699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201699

0 1
S -4.875580 -1.199189 -0.567110
O -5.156789 1.751788 1.912614
O 5.178628 -0.877021 0.357854
O 4.366620 0.368240 -1.349265
N -3.711104 0.973004 0.332545
C -2.159634 -0.922895 -0.215460
C -0.852765 -0.170627 -0.503376
C -3.383603 -0.102554 -0.614244
C 0.368831 -1.026218 -0.140706
C 1.673370 -0.276048 -0.433066
C 2.895555 -1.123493 -0.064956
C -5.769702 -0.257035 0.691765
C -4.897996 0.911593 1.075687
C 4.168856 -0.430367 -0.464982
C 6.525388 -0.342900 0.155812
C 6.620343 1.050504 0.741078
H -2.208298 -1.201866 0.858076
H -2.160415 -1.888780 -0.764826
H -0.825076 0.778723 0.066036
H -0.805674 0.114924 -1.573192
H -3.283948 0.313010 -1.649623
H 0.344299 -1.978014 -0.707077
H 0.326364 -1.310536 0.929220
H 1.726417 0.005639 -1.506369
H 1.699525 0.681492 0.124890
H -3.007993 1.677453 0.543109
H 2.909163 -1.353876 1.022604
H 2.858106 -2.112935 -0.571628
H -5.993768 -0.890303 1.574349
H -6.747457 0.091738 0.299249
H 7.128925 -1.089306 0.703780
H 6.753347 -0.366498 -0.924592
H 7.653218 1.417904 0.737808
H 6.014266 1.765323 0.163764
H 6.257381 1.079427 1.776332


%chk=000201699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201699

0 1
S -5.045580 -1.375395 -0.458552
O -5.227760 1.988724 1.708782
O 5.271430 -0.860929 0.342389
O 4.334714 0.505279 -1.302418
N -3.778856 0.904318 0.218190
C -2.216834 -1.019964 -0.225678
C -0.916006 -0.213371 -0.457028
C -3.489066 -0.254776 -0.629800
C 0.351051 -1.036366 -0.130410
C 1.655438 -0.249595 -0.380512
C 2.911353 -1.076575 -0.035011
C -5.877035 -0.186403 0.745564
C -4.948025 1.016987 0.954274
C 4.204114 -0.372935 -0.418131
C 6.622564 -0.284492 0.049669
C 6.848351 0.999902 0.851839
H -2.305133 -1.321662 0.835193
H -2.175543 -1.952801 -0.823242
H -0.916799 0.702311 0.170950
H -0.869291 0.124599 -1.513421
H -3.436597 0.046349 -1.693262
H 0.353185 -1.959155 -0.747522
H 0.308828 -1.367891 0.927674
H 1.713018 0.066721 -1.439027
H 1.651867 0.680950 0.221056
H -3.096451 1.662922 0.283975
H 2.951055 -1.335362 1.038182
H 2.887617 -2.041215 -0.583492
H -6.056059 -0.682008 1.712397
H -6.835189 0.163176 0.330336
H 7.315689 -1.087266 0.347936
H 6.697132 -0.097359 -1.036111
H 7.880172 1.363986 0.691140
H 6.150709 1.790326 0.528257
H 6.710734 0.819271 1.931916


