%chk=000291508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291508

0 1
S 2.150112 -1.910020 1.077193
O -5.137489 -1.671656 -0.798773
O -2.765279 2.594582 -0.064088
O 3.342816 -2.181638 1.852397
O 0.945777 -2.680748 1.278749
N -2.694858 -0.281664 -0.291865
N 1.830001 -0.254097 1.463733
C -3.885594 0.442309 -0.835910
C -3.122474 -1.434194 0.571277
C -1.646879 0.514392 0.264598
C -4.751608 -0.552799 -1.623140
C -3.997319 -2.376495 -0.268319
C -1.617178 1.910337 0.319411
C 0.664624 0.470422 1.109852
C -0.478938 -0.186320 0.701525
C -0.459805 2.628157 0.756381
C 0.699133 1.917187 1.159771
C -0.449834 4.060299 0.804263
C 1.841358 2.656951 1.595742
C 0.660944 4.742277 1.228940
C 1.826932 4.029487 1.630710
C 2.539984 -1.866687 -0.600250
C 3.883898 -1.908599 -0.992297
C 1.530488 -1.800180 -1.566159
C 4.218246 -1.878625 -2.348006
C 1.864308 -1.768299 -2.923913
C 3.206847 -1.806635 -3.313567
H -3.534069 1.253551 -1.516129
H -4.481927 0.930830 -0.033545
H -3.684609 -1.087210 1.466029
H -2.222403 -1.980969 0.938691
H -5.727157 -0.117751 -1.903417
H -4.229819 -0.933075 -2.518806
H -3.432673 -2.828888 -1.102334
H -4.467708 -3.163167 0.348032
H -0.540931 -1.284750 0.727565
H 2.504034 0.249151 2.058500
H -1.350888 4.593144 0.493871
H 2.736961 2.115026 1.903435
H 2.697867 4.590588 1.963481
H 0.671058 5.831063 1.266363
H -2.643028 3.573881 0.047739
H 4.675553 -1.972106 -0.235966
H 0.474813 -1.773969 -1.270197
H 5.263330 -1.912579 -2.652876
H 1.076654 -1.712749 -3.674936
H 3.467329 -1.781564 -4.372852


%chk=000291508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291508

0 1
S 1.696874 -1.734218 0.869417
O -3.173494 -2.314684 -1.733244
O -3.017353 2.529464 0.005074
O 0.775354 -3.030959 1.296966
O 0.434045 -0.355528 0.265344
N -2.591185 -0.363809 0.364386
N 1.075294 0.708882 3.208476
C -3.693042 -0.152016 -0.614124
C -2.381642 -1.821685 0.576277
C -1.682477 0.618306 0.747242
C -3.369324 -0.870744 -1.941344
C -2.084017 -2.529738 -0.764067
C -1.817910 1.998849 0.571143
C 0.406511 1.190405 2.181769
C -0.392986 0.149128 1.401766
C -0.758623 2.956576 0.874690
C 0.361803 2.584735 1.690212
C -0.830942 4.305380 0.408357
C 1.358101 3.534948 2.011425
C 0.163789 5.242743 0.748668
C 1.267053 4.866399 1.554801
C 2.160291 -2.076568 -0.920942
C 1.810219 -3.327847 -1.458212
C 2.861903 -1.099776 -1.655092
C 2.178112 -3.612400 -2.792538
C 3.222539 -1.397791 -2.989303
C 2.882678 -2.650363 -3.554852
H -3.853895 0.920580 -0.778642
H -4.616238 -0.593163 -0.188100
H -3.319139 -2.233031 1.000937
H -1.561019 -2.040256 1.272479
H -4.214376 -0.785014 -2.645147
H -2.458624 -0.426016 -2.397660
H -1.125360 -2.153949 -1.174764
H -2.025153 -3.620461 -0.617851
H -0.587479 -0.677273 2.110147
H 1.642763 1.434408 3.698879
H -1.637835 4.610444 -0.267326
H 2.222143 3.227718 2.614160
H 2.045266 5.594231 1.805089
H 0.091575 6.267835 0.368138
H -3.221500 3.402115 0.426839
H 1.260688 -4.044769 -0.836371
H 3.105062 -0.127322 -1.214364
H 1.914991 -4.579327 -3.234192
H 3.761137 -0.652937 -3.584692
H 3.166022 -2.875300 -4.588953


