%chk=000267936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267936

0 1
S 1.871714 2.735542 0.086011
O 2.979691 0.276269 1.059312
O -0.590132 -4.028725 -1.077162
O 0.974537 -3.204777 0.166382
O 5.107304 0.839338 0.512314
N -0.512431 1.762606 0.678397
N -1.501312 2.659318 0.397875
N -0.072515 -3.113768 -0.462109
C -0.810832 0.496927 0.134655
C -2.089824 0.638395 -0.510409
C 0.696804 2.159642 1.382868
C -0.124170 -0.728419 0.161294
C -2.460765 2.017979 -0.306233
C -2.680682 -0.473878 -1.141314
C -0.748666 -1.795123 -0.467606
C -2.011374 -1.681665 -1.118786
C 3.459343 2.573295 0.917096
C 3.981758 1.175673 0.784351
C 3.293303 -1.156617 0.920772
C 3.534621 -1.509501 -0.528726
H 0.485637 2.992025 2.094628
H 1.133659 1.297750 1.942674
H 0.854863 -0.830401 0.648146
H -3.361097 2.508164 -0.644736
H -3.647469 -0.369864 -1.633758
H -2.433267 -2.571328 -1.598066
H 4.167513 3.287453 0.429214
H 3.419434 2.883618 1.981302
H 4.154570 -1.379853 1.571830
H 2.357885 -1.603284 1.320839
H 3.430372 -2.592702 -0.689978
H 2.816886 -1.012834 -1.194610
H 4.541342 -1.213054 -0.859067


%chk=000267936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267936

0 1
S 1.807308 2.642202 -0.349643
O 3.417195 0.316723 1.232454
O -1.108865 -3.921097 -1.703761
O 0.831969 -3.117334 -0.821654
O 5.325479 1.084065 0.126288
N -0.608126 1.685450 0.662696
N -1.649491 2.623679 0.734218
N -0.417186 -2.991417 -1.136147
C -1.030515 0.498838 0.062523
C -2.424578 0.677200 -0.248661
C 0.710540 2.045691 1.119070
C -0.332788 -0.690842 -0.219935
C -2.733648 2.012061 0.193077
C -3.147189 -0.382280 -0.861331
C -1.093210 -1.710036 -0.821619
C -2.477801 -1.579544 -1.147188
C 3.470176 2.635051 0.557401
C 4.180607 1.291937 0.585262
C 4.058680 -1.040771 1.366559
C 3.941872 -1.856243 0.078269
H 0.613141 2.873057 1.835719
H 1.230177 1.181057 1.558937
H 0.729008 -0.833664 -0.007090
H -3.679870 2.547790 0.148076
H -4.207233 -0.268398 -1.107111
H -2.984329 -2.425442 -1.617602
H 4.105727 3.356570 0.024239
H 3.298531 2.999252 1.585454
H 5.114546 -0.883907 1.649133
H 3.504620 -1.495742 2.203150
H 4.390183 -2.854094 0.242378
H 2.892384 -2.012015 -0.220353
H 4.489385 -1.369594 -0.745405


