%chk=000230903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230903

0 1
S 2.256163 0.234450 -0.021714
O 3.159983 -0.810487 0.406073
O 1.222506 0.688262 0.898819
O 0.220353 -2.496558 0.524201
O 0.954553 -3.372851 -1.434920
O -2.329655 -0.344500 -2.277694
N 3.171081 1.590681 -0.559595
N -0.804196 -0.326836 -0.588121
C 1.499084 -0.265551 -1.542013
C 0.193991 -1.048393 -1.386299
C 4.653994 1.441869 -0.553531
C 2.661223 2.938474 -0.179999
C 0.505877 -2.445195 -0.806242
C 5.286793 1.258399 0.823614
C 2.682183 3.249200 1.314486
C -2.069215 -0.049877 -1.120512
C -3.019485 0.639157 -0.194677
C 0.524078 -3.736709 1.250091
C -3.821463 1.663395 -0.720203
C -3.145446 0.261758 1.148779
C -0.515979 -4.788352 0.933476
C -4.735444 2.321643 0.106008
C -4.065125 0.921811 1.969074
C -4.855948 1.952303 1.450170
H 1.299626 0.618377 -2.191983
H 2.211896 -0.871464 -2.150247
H -0.241400 -1.235121 -2.424252
H 4.902138 0.565351 -1.198524
H 5.090127 2.335682 -1.056221
H 3.260064 3.698139 -0.733823
H 1.616996 3.020509 -0.564708
H -0.530529 -0.050246 0.372818
H 6.380189 1.261677 0.759760
H 4.996652 0.294157 1.275143
H 4.990672 2.053039 1.523683
H 2.388735 4.286329 1.507510
H 3.678697 3.095956 1.753717
H 1.976665 2.606690 1.869344
H 0.482127 -3.370223 2.292458
H 1.550031 -4.048929 0.983882
H -3.732896 1.931750 -1.775114
H -2.536985 -0.547131 1.556311
H -1.535544 -4.406464 1.072123
H -0.436635 -5.123373 -0.112828
H -0.399232 -5.672760 1.570827
H -5.357274 3.118651 -0.298807
H -4.164542 0.631479 3.013987
H -5.569881 2.466131 2.093174


%chk=000230903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230903

0 1
S 2.330435 0.239577 0.088916
O 3.176162 -1.083681 0.520853
O 1.188841 0.851281 1.113880
O -0.081478 -2.669300 0.263522
O 1.193523 -3.112399 -1.643665
O -2.558635 -0.634404 -2.055339
N 3.540384 1.547006 -0.452403
N -0.826895 -0.194274 -0.578689
C 1.430554 -0.117731 -1.615318
C 0.133010 -0.909312 -1.404817
C 4.945209 1.257707 -0.037926
C 2.981902 2.928231 -0.375127
C 0.474796 -2.353360 -0.954455
C 5.285918 1.212819 1.470327
C 2.957429 3.652097 0.990074
C -2.154996 -0.111473 -0.963650
C -3.082348 0.633832 -0.041517
C 0.229902 -4.033376 0.809441
C -4.468283 0.583979 -0.339767
C -2.639198 1.380377 1.083203
C -0.752591 -5.068836 0.258920
C -5.400068 1.259659 0.474283
C -3.574124 2.058258 1.895570
C -4.955294 1.998560 1.596186
H 1.253661 0.886104 -2.028460
H 2.195698 -0.680049 -2.170543
H -0.343146 -1.028607 -2.403066
H 5.220700 0.289635 -0.492287
H 5.541043 2.039625 -0.550180
H 3.572832 3.511980 -1.109204
H 1.949417 2.883391 -0.771922
H -0.480225 0.162678 0.321731
H 6.366269 1.005180 1.585235
H 4.733923 0.395175 1.963604
H 5.063832 2.159583 1.986820
H 2.413164 4.608496 0.877671
H 3.971406 3.887461 1.354341
H 2.429082 3.042615 1.741887
H 0.129474 -3.895123 1.897080
H 1.274499 -4.276431 0.548584
H -4.782758 0.010143 -1.217690
H -1.574779 1.457736 1.334923
H -1.795072 -4.771443 0.464574
H -0.624087 -5.194637 -0.828964
H -0.568759 -6.045590 0.743817
H -6.468511 1.212148 0.236955
H -3.224856 2.633786 2.759814
H -5.677360 2.525209 2.230280


