%chk=000261451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261451

0 1
S -5.112062 -0.630185 0.103797
O -5.369111 -1.212599 1.407632
O -6.007520 0.365186 -0.454498
N 2.638330 1.294558 0.228512
N 1.454033 0.710312 0.110009
N 0.445703 1.439208 -0.198171
N -5.158407 -1.952959 -1.000616
C 3.838743 0.383418 0.171111
C 3.690820 -0.774189 1.177504
C 4.064709 -0.151259 -1.258068
C 4.944963 -1.656526 1.141473
C 5.314324 -1.040328 -1.292713
C 5.214885 -2.184920 -0.274408
C 2.876312 2.731639 -0.078279
C -0.852551 0.844817 -0.104433
C -3.492071 -0.068154 0.026946
C -1.208804 -0.142225 0.837233
C -1.826348 1.378787 -0.978065
C -2.527060 -0.589476 0.896305
C -3.136768 0.919374 -0.903312
H 4.716079 1.016277 0.474028
H 2.793881 -1.380905 0.938208
H 3.521652 -0.377792 2.195994
H 4.166889 0.683864 -1.974359
H 3.179842 -0.730782 -1.590167
H 4.821372 -2.504533 1.842201
H 5.821873 -1.088019 1.506297
H 6.217839 -0.433478 -1.090620
H 5.447811 -1.453625 -2.310901
H 6.147388 -2.779689 -0.283690
H 4.405973 -2.880276 -0.572930
H 2.866680 2.929035 -1.163224
H 3.837189 3.058560 0.343729
H 2.076215 3.351874 0.371998
H -0.458636 -0.548206 1.513859
H -1.543269 2.149842 -1.694581
H -2.808525 -1.348142 1.636039
H -3.897985 1.340526 -1.570489
H -5.302142 -2.885591 -0.621210
H -5.716146 -1.849621 -1.844840


%chk=000261451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261451

0 1
S -5.182772 -0.789201 0.299443
O -5.148277 -1.977790 1.415539
O -6.197201 0.484926 0.379076
N 2.647356 1.252415 -0.138816
N 1.436020 0.673413 -0.011368
N 0.430811 1.470106 -0.345547
N -5.535472 -1.625310 -1.312640
C 3.837644 0.387136 0.090754
C 3.572081 -0.716868 1.138608
C 4.356277 -0.223036 -1.241001
C 4.858655 -1.540765 1.385397
C 5.633971 -1.063380 -0.999023
C 5.396273 -2.155105 0.070558
C 2.795530 2.627151 -0.655337
C -0.844789 0.854336 -0.166535
C -3.441241 -0.132539 0.097104
C -1.063394 -0.458765 0.350413
C -1.960571 1.658556 -0.531749
C -2.370459 -0.959377 0.482736
C -3.274675 1.169485 -0.403409
H 4.624261 1.059641 0.493103
H 2.767508 -1.380232 0.773217
H 3.210181 -0.258356 2.077673
H 4.557778 0.580403 -1.976157
H 3.555801 -0.862590 -1.663147
H 4.648319 -2.338435 2.122816
H 5.639431 -0.891439 1.833603
H 6.455383 -0.395691 -0.664593
H 5.964313 -1.520051 -1.951309
H 6.334293 -2.709938 0.263181
H 4.660614 -2.890181 -0.315474
H 2.385382 2.710355 -1.678851
H 3.864788 2.889330 -0.652099
H 2.226625 3.330346 -0.022081
H -0.203206 -1.065931 0.644679
H -1.769949 2.666942 -0.911578
H -2.564842 -1.953711 0.897674
H -4.144447 1.783009 -0.657693
H -5.735487 -2.619097 -1.106405
H -6.336412 -1.135966 -1.747461


