%chk=000265487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265487

0 1
S 2.360280 1.559760 1.099712
O -1.177692 1.459204 -1.364028
O 1.416999 1.053642 2.097559
O 3.520455 2.304888 1.558419
N -1.839016 -0.117844 0.194814
N -0.787764 1.924913 0.876214
C -2.725049 -0.813907 -0.789100
C -2.766337 -2.314430 -0.436238
C -4.140389 -0.199996 -0.826485
C -3.601998 -2.615315 0.814337
C -4.954778 -0.506540 0.434616
C -5.010015 -2.014839 0.710832
C -1.271597 1.118864 -0.189843
C 0.115598 3.043570 0.509595
C 1.474545 2.583545 -0.031408
C 2.899437 0.230249 0.127593
C 4.246339 0.142840 -0.236943
C 1.998998 -0.763706 -0.268123
C 4.691951 -0.928396 -1.017018
C 2.442181 -1.835595 -1.048701
C 3.788004 -1.915719 -1.423936
H -2.252760 -0.683461 -1.803105
H -3.185122 -2.862667 -1.303076
H -1.736272 -2.697262 -0.300885
H -4.068426 0.894962 -0.979198
H -4.670854 -0.589445 -1.717284
H -3.670198 -3.710454 0.960060
H -3.091065 -2.225458 1.715394
H -5.980702 -0.106620 0.321630
H -4.521806 0.022390 1.304808
H -5.574518 -2.521678 -0.095551
H -5.571793 -2.207661 1.643852
H -2.113424 -0.247294 1.170419
H -0.391218 3.664373 -0.270394
H 0.241039 3.681612 1.414608
H -0.511881 1.451339 1.760496
H 1.299523 2.084333 -1.013720
H 2.074498 3.477938 -0.304528
H 4.955978 0.910481 0.095251
H 0.946476 -0.715061 0.033047
H 5.740646 -0.995561 -1.302366
H 1.740309 -2.607157 -1.361543
H 4.133717 -2.752037 -2.032880


%chk=000265487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265487

0 1
S 2.533603 1.720087 1.123538
O -1.508189 1.744670 -1.380885
O 1.581210 1.234191 2.382070
O 3.925535 2.526695 1.422351
N -1.946795 -0.019764 0.104643
N -0.682264 1.831540 0.808986
C -2.799083 -0.756034 -0.858451
C -2.766156 -2.271890 -0.542041
C -4.262160 -0.228132 -0.861063
C -3.522350 -2.627714 0.763536
C -5.008347 -0.570477 0.449507
C -4.975077 -2.091708 0.736369
C -1.395083 1.217634 -0.225116
C 0.057370 3.066365 0.549591
C 1.433838 2.820752 -0.082444
C 2.991508 0.183154 0.102820
C 4.343166 0.040086 -0.245096
C 1.992485 -0.751138 -0.218806
C 4.713486 -1.114154 -0.974698
C 2.382533 -1.894622 -0.954591
C 3.736081 -2.073696 -1.328641
H -2.359276 -0.568307 -1.854506
H -3.248197 -2.804852 -1.385434
H -1.715997 -2.620638 -0.493562
H -4.247207 0.862338 -1.040065
H -4.794316 -0.690552 -1.717665
H -3.519764 -3.725313 0.906324
H -2.992754 -2.206487 1.645216
H -6.055164 -0.216484 0.389261
H -4.542711 -0.024371 1.296199
H -5.540011 -2.622223 -0.058132
H -5.482839 -2.315287 1.694411
H -1.983866 -0.301271 1.086294
H -0.523101 3.669441 -0.173203
H 0.152882 3.633890 1.490323
H -0.355509 1.310515 1.632514
H 1.364747 2.240432 -1.015899
H 2.052159 3.725366 -0.200078
H 5.069016 0.802494 0.058558
H 0.949077 -0.606749 0.082865
H 5.759664 -1.261412 -1.262081
H 1.630733 -2.641156 -1.231331
H 4.029420 -2.964421 -1.894686


