%chk=000229208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229208

0 1
S 0.024090 -3.502642 0.300024
O 2.917437 3.435778 0.342945
O 3.164418 0.765918 -1.929115
O -0.017879 2.892076 -0.574052
O 4.645425 0.276764 0.992407
O 0.596645 0.995508 2.218898
O -0.218687 -4.637165 -0.568858
O 0.163327 -3.711786 1.716076
O -2.912929 2.592274 0.188862
N 1.895212 -1.692220 0.156950
N 1.555041 -2.911191 -0.323829
N -3.820138 0.829141 -0.985913
C 2.266578 2.452022 -0.476529
C 3.311527 1.319186 -0.621816
C 0.904442 2.049480 0.135747
C 3.298157 0.233907 0.483941
C 0.790842 2.307787 1.647013
C 3.053032 -1.151456 -0.079084
C -1.088666 -2.248155 -0.038171
C -1.066543 -1.058728 0.701557
C -2.026341 -2.409426 -1.069185
C -2.885260 -0.188252 -0.632787
C -1.958123 -0.027033 0.409743
C -2.927705 -1.395468 -1.371989
C -3.796389 2.173731 -0.533929
C -4.937896 3.005939 -1.032775
H 2.077929 2.893168 -1.491495
H 4.342468 1.775471 -0.658515
H 0.653727 0.982627 -0.087063
H 2.601805 0.477746 1.323916
H -0.086448 2.934887 1.888371
H 1.707998 2.764261 2.068816
H 3.898867 -1.566448 -0.639439
H 2.494140 4.311460 0.199814
H 2.316699 0.279134 -2.019194
H -0.950104 2.727327 -0.271496
H 4.740140 -0.328653 1.756020
H 0.705919 1.032806 3.189886
H 2.223229 -3.511865 -0.827087
H -0.336374 -0.913790 1.515600
H -2.048796 -3.344969 -1.644685
H -1.924102 0.893461 1.003268
H -3.647051 -1.534915 -2.174930
H -4.551345 0.553071 -1.648065
H -5.920056 2.602521 -0.748075
H -4.926206 3.129447 -2.125580
H -4.877955 4.022963 -0.603100


%chk=000229208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229208

0 1
S 0.100495 -3.638012 0.467027
O 3.225737 3.256049 0.726996
O 2.495966 0.903217 -2.040177
O 0.015350 3.184329 -0.158778
O 4.931278 0.276113 0.401314
O -0.308754 1.652034 2.376196
O -0.223339 -5.010999 -0.340854
O 0.446436 -3.632924 2.053588
O -2.777365 2.620706 -0.126843
N 1.972356 -1.687514 -0.011625
N 1.523725 -2.856939 -0.568101
N -3.829867 0.730748 -1.035203
C 2.336919 2.568664 -0.230899
C 3.148774 1.385121 -0.811711
C 0.954920 2.207424 0.391462
C 3.475162 0.222768 0.184623
C 0.964510 2.256644 1.928294
C 3.099899 -1.132196 -0.385015
C -1.195277 -2.342399 0.095950
C -1.180319 -1.160214 0.850689
C -2.077306 -2.569208 -0.973789
C -2.947104 -0.302547 -0.605651
C -2.067780 -0.125790 0.494265
C -2.971239 -1.536190 -1.315227
C -3.718411 2.102319 -0.797411
C -4.821728 2.955152 -1.411434
H 2.106488 3.230375 -1.088981
H 4.117338 1.782621 -1.154079
H 0.656076 1.174860 0.096354
H 2.928745 0.361039 1.137724
H 1.030617 3.312221 2.256392
H 1.825488 1.698918 2.344124
H 3.788136 -1.565075 -1.132085
H 2.919381 4.192594 0.818327
H 1.613573 0.507464 -1.816072
H -0.930050 2.941462 0.053030
H 5.165629 -0.289663 1.180703
H -0.461249 1.877677 3.326706
H 2.189918 -3.603139 -0.858382
H -0.490946 -1.019718 1.686930
H -2.053415 -3.515220 -1.523693
H -2.030491 0.809416 1.052606
H -3.661922 -1.677183 -2.155293
H -4.589396 0.440734 -1.655308
H -5.557413 2.380550 -1.999714
H -4.361996 3.720677 -2.059248
H -5.353446 3.488734 -0.604627


