%chk=000282733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282733

0 1
S -1.190347 3.334035 0.728420
O 1.751320 0.845769 1.020071
O 2.420324 1.611199 -2.053109
O 2.702214 -1.734440 -1.225940
O 4.390782 -1.423348 1.953474
N -0.349073 0.818161 -0.037394
N -2.581522 0.965890 0.558326
N -0.281900 -1.661966 -0.493024
N -2.455864 -2.743531 -0.175926
N -4.397649 -1.564791 0.481987
C 1.770895 0.537985 -1.367740
C 1.066477 1.232898 -0.171711
C 2.819481 -0.417078 -0.730642
C 2.552123 -0.352588 0.793837
C 3.802009 -0.155556 1.659626
C -0.881069 -0.480667 -0.127138
C -1.438222 1.640093 0.414306
C -2.273306 -0.365253 0.222486
C -3.062108 -1.553048 0.187531
C -1.128197 -2.732860 -0.491138
C -2.780617 4.050959 0.277809
H 1.085786 0.003049 -2.059205
H 1.142764 2.351813 -0.209791
H 3.856029 -0.125172 -1.013117
H 1.952134 -1.224136 1.142709
H 3.530829 0.244068 2.659550
H 4.548375 0.510456 1.193801
H 2.727883 1.310656 -2.936716
H 1.789475 -2.102188 -1.050105
H 4.649466 -1.883560 1.124596
H -0.693575 -3.707852 -0.775333
H -2.974581 3.981191 -0.799572
H -2.765228 5.111391 0.565119
H -3.613025 3.561598 0.805680
H -4.854417 -0.724148 0.802565
H -4.916665 -2.429728 0.486207


%chk=000282733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282733

0 1
S -1.149394 3.458388 0.381236
O 1.914299 1.248667 0.821635
O 2.648410 1.498557 -2.216411
O 2.505741 -1.892468 -0.912487
O 4.221794 -1.534173 1.847417
N -0.278693 0.850280 -0.186504
N -2.521065 1.016587 0.335582
N -0.179727 -1.647414 -0.500038
N -2.360543 -2.716894 -0.173622
N -4.300772 -1.495606 0.392905
C 1.870700 0.505394 -1.467676
C 1.112989 1.325813 -0.397914
C 2.762145 -0.489500 -0.647531
C 2.501997 -0.116725 0.848053
C 3.768206 -0.142907 1.704826
C -0.800565 -0.458525 -0.227180
C -1.365963 1.684095 0.174366
C -2.179121 -0.323205 0.084461
C -2.965093 -1.510137 0.104927
C -1.031315 -2.722413 -0.453185
C -2.959603 3.920084 0.625841
H 1.194694 -0.051155 -2.144427
H 1.061398 2.388388 -0.682935
H 3.821720 -0.310008 -0.905938
H 1.766279 -0.830013 1.273790
H 3.568483 0.219055 2.726681
H 4.553374 0.492705 1.245081
H 3.216913 1.029027 -2.877632
H 1.493585 -1.997044 -0.777928
H 4.038316 -2.028490 1.003579
H -0.585728 -3.698792 -0.663814
H -3.534962 3.636790 -0.266028
H -2.960524 5.010884 0.770952
H -3.347614 3.400596 1.512075
H -4.765016 -0.615862 0.608256
H -4.814344 -2.374679 0.400087


