%chk=000195539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195539

0 1
S 0.738310 3.822755 -0.990649
O 0.402869 -0.027981 1.290390
O -1.810551 3.544857 -0.331527
O -1.820719 -3.140487 -1.559079
O -3.468786 -1.635864 -1.257187
N 1.058579 -0.077050 -1.696483
C -1.610607 0.456879 -0.658882
C -0.575887 1.520278 -0.911663
C 0.688716 1.223108 -1.329985
C -1.178528 -0.878375 -1.253324
C -1.885759 0.300365 0.825869
C 0.102178 -1.125985 -1.646324
C 1.680897 2.332520 -1.461280
C -0.856105 2.918833 -0.661572
C -0.878313 0.091090 1.797987
C -3.210280 0.362741 1.272663
C 0.614047 -2.445868 -2.107786
C -2.277631 -1.842789 -1.338226
C -1.178183 -0.018707 3.162053
C -3.528313 0.248050 2.631610
C -2.513503 0.064370 3.570254
C 1.517230 0.015024 2.233744
C 2.729765 -0.097121 1.349877
C -2.844745 -4.167282 -1.632135
C 2.956235 -1.276670 0.624093
C 3.632098 0.970849 1.246090
C 4.079540 -1.385311 -0.199366
C 4.757419 0.854741 0.424477
C 4.981846 -0.320784 -0.298999
H -2.566034 0.769825 -1.171752
H 2.045454 -0.306218 -1.809260
H 2.551390 2.207616 -0.784620
H 2.071728 2.447035 -2.491117
H -4.014307 0.497748 0.542995
H 0.513162 -3.198482 -1.301803
H -0.010396 -2.840602 -2.933618
H 1.653964 -2.450804 -2.449592
H -0.402621 -0.171952 3.903151
H -4.566722 0.305809 2.948840
H -2.756478 -0.018324 4.629089
H 1.467325 0.967395 2.792186
H 1.430076 -0.839052 2.930997
H -2.270848 -5.066193 -1.872531
H -3.567564 -3.915656 -2.415361
H -3.346546 -4.246447 -0.662213
H 2.247789 -2.102118 0.704361
H 3.460641 1.891204 1.805538
H 4.262015 -2.306145 -0.751328
H 5.463999 1.681476 0.353542
H 5.863553 -0.410698 -0.932048


%chk=000195539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195539

0 1
S 0.547154 3.984682 -1.316781
O 0.423570 -0.041280 1.289302
O -2.091002 3.487796 -0.534672
O -1.892480 -3.191865 -1.737591
O -3.502936 -1.653207 -1.060583
N 0.986156 -0.038343 -1.681891
C -1.677417 0.438392 -0.627068
C -0.690922 1.533963 -0.997308
C 0.579435 1.262726 -1.435885
C -1.211469 -0.909916 -1.223835
C -1.919475 0.346215 0.892578
C 0.096065 -1.124268 -1.633743
C 1.519104 2.416445 -1.687456
C -1.016384 2.951245 -0.869452
C -0.872135 0.107937 1.831276
C -3.230858 0.500259 1.395537
C 0.707853 -2.428193 -2.103083
C -2.292056 -1.902764 -1.316453
C -1.140874 0.029234 3.219713
C -3.514182 0.425434 2.777059
C -2.463601 0.189131 3.688341
C 1.547086 -0.224930 2.236642
C 2.820198 -0.257649 1.421127
C -2.996622 -4.173214 -1.840079
C 3.234315 -1.453825 0.781903
C 3.605256 0.911885 1.265143
C 4.407319 -1.479771 -0.006311
C 4.782096 0.890354 0.480643
C 5.184575 -0.305848 -0.158944
H -2.663441 0.680094 -1.065358
H 1.970537 -0.229854 -1.874071
H 2.397389 2.370113 -1.020000
H 1.858879 2.448563 -2.737209
H -4.040386 0.674408 0.679338
H 0.520108 -3.235627 -1.379274
H 0.256591 -2.758857 -3.053892
H 1.798498 -2.318312 -2.248850
H -0.338189 -0.153782 3.940083
H -4.541171 0.550570 3.134922
H -2.664955 0.128745 4.763822
H 1.559846 0.615118 2.959387
H 1.400038 -1.172623 2.793891
H -2.512049 -5.108282 -2.157289
H -3.741550 -3.839982 -2.582395
H -3.496373 -4.294248 -0.864163
H 2.634258 -2.364085 0.902745
H 3.294649 1.840306 1.759663
H 4.724286 -2.412928 -0.485482
H 5.386236 1.798355 0.376229
H 6.100427 -0.326716 -0.760129


