%chk=000262188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262188

0 1
S -0.890028 2.229034 0.495829
O 3.264463 -2.189952 -1.371989
O 0.278844 2.288547 -0.369793
O -1.728920 3.411750 0.587799
N 2.436008 -0.112956 0.414428
N -0.417861 1.935049 2.117243
C 2.610865 1.176579 1.162064
C 3.457630 -1.129331 0.830556
C 2.542853 0.136407 -1.062676
C 1.947144 1.091641 2.544672
C 3.200481 -2.427213 0.048797
C 2.324035 -1.185254 -1.809431
C 0.440106 0.785976 2.481384
C -1.832751 0.849320 0.082143
C -3.223315 0.889364 0.236540
C -1.220654 -0.304181 -0.421240
C -3.388451 -1.377680 -0.611757
C -4.000254 -0.217055 -0.106634
C -1.990950 -1.414352 -0.765325
C -4.214220 -2.568003 -0.967986
H 3.674959 1.471598 1.275832
H 2.120615 1.994652 0.571587
H 4.501862 -0.789759 0.658915
H 3.345992 -1.313629 1.919247
H 1.752992 0.880249 -1.340875
H 3.517976 0.578521 -1.357662
H 2.439199 0.304345 3.149700
H 2.125995 2.040995 3.085281
H 4.001205 -3.171809 0.199719
H 2.217261 -2.864718 0.294081
H 1.300794 -1.575115 -1.670299
H 2.556842 -1.099292 -2.885510
H 0.100904 0.430314 3.484047
H 0.263399 -0.061160 1.778284
H -0.275277 2.748465 2.724703
H -3.705834 1.796168 0.621418
H -0.129139 -0.338813 -0.547642
H -5.080938 -0.178769 0.015399
H -1.508738 -2.308931 -1.154415
H -5.228786 -2.295633 -1.291272
H -3.769710 -3.161521 -1.779287
H -4.322800 -3.239152 -0.101374


%chk=000262188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262188

0 1
S -0.910517 2.233671 0.363592
O 3.574720 -2.183160 -1.331554
O 0.329867 2.183624 -0.702871
O -1.808119 3.584646 0.495183
N 2.642531 -0.050504 0.417614
N -0.445266 1.877713 2.113526
C 2.710316 1.200843 1.215760
C 3.545863 -1.119194 0.916104
C 2.894403 0.192163 -1.030183
C 1.971445 1.080156 2.566819
C 3.333919 -2.407260 0.102297
C 2.692415 -1.108521 -1.820490
C 0.465894 0.750667 2.435428
C -2.009988 0.754311 -0.004657
C -3.351670 0.816444 0.403552
C -1.461205 -0.332769 -0.701989
C -3.674487 -1.418721 -0.592343
C -4.180877 -0.284214 0.098007
C -2.311691 -1.423297 -0.990809
C -4.571058 -2.607728 -0.885207
H 3.769297 1.507948 1.406459
H 2.238249 1.997365 0.612652
H 4.619303 -0.809399 0.840130
H 3.328892 -1.326684 1.980751
H 2.182225 0.959842 -1.382552
H 3.935237 0.562583 -1.205423
H 2.437430 0.284262 3.181811
H 2.104950 2.022048 3.137489
H 4.049337 -3.191103 0.402205
H 2.293995 -2.772120 0.254763
H 1.631684 -1.436330 -1.735638
H 2.952307 -0.975317 -2.883523
H 0.085823 0.333127 3.389185
H 0.345443 -0.035379 1.666369
H -0.203147 2.791062 2.535977
H -3.733394 1.702077 0.921312
H -0.414443 -0.314882 -1.022392
H -5.235049 -0.260671 0.397133
H -1.911125 -2.285497 -1.536260
H -5.618971 -2.297595 -1.040258
H -4.238421 -3.156160 -1.783219
H -4.562322 -3.323352 -0.040248


