%chk=000188826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188826

0 1
S -4.914172 -1.406049 -0.021084
O 5.078104 1.773123 -0.360182
O 2.569488 3.233327 0.501293
O -2.155327 -2.339215 -0.300764
O -2.425923 3.015098 -0.180653
O -5.318485 -1.826813 -1.347253
O -4.835940 -2.363127 1.060602
N -4.720685 1.661366 -0.263407
C 2.758445 -1.008277 0.460194
C 2.912653 -2.293127 -0.394400
C 3.887656 -0.116217 0.066361
C 1.446623 -0.247250 0.240086
C 4.331219 -2.882080 -0.270789
C 5.168840 -0.520443 -0.437482
C 5.465686 -1.943099 -0.739015
C 2.829916 -1.327248 1.965736
C 3.849647 1.259716 0.058571
C 1.403162 1.164587 0.224631
C 0.245575 -0.968632 0.121988
C 2.632005 2.044429 0.297583
C -0.974362 -0.311347 -0.006446
C 5.860949 0.650528 -0.664045
C 0.171301 1.825075 0.106419
C -1.019673 1.095751 -0.008843
C -3.500345 -0.423666 -0.102251
C -2.236735 -1.139269 -0.146166
C -3.573580 0.939678 -0.166423
C -2.298098 1.810708 -0.126464
C -6.149704 -0.211212 0.503010
C -6.068834 1.033807 -0.351195
H 2.693581 -2.058731 -1.454563
H 2.171417 -3.054106 -0.085743
H 4.380405 -3.823145 -0.852641
H 4.513067 -3.168465 0.784912
H 5.614233 -2.056223 -1.835398
H 6.421795 -2.256045 -0.271266
H 2.748194 -0.420436 2.577459
H 2.029388 -2.010623 2.271233
H 3.786510 -1.801361 2.221763
H 0.253168 -2.066532 0.127233
H 6.835763 0.912452 -1.011053
H 0.143206 2.925696 0.106213
H -6.048668 0.011797 1.582892
H -7.160526 -0.663955 0.430036
H -6.281217 0.788350 -1.426140
H -6.826112 1.787330 -0.031809
H -4.673307 2.687376 -0.277041


%chk=000188826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188826

0 1
S -5.109124 -1.496810 -0.080724
O 5.123202 1.807074 -0.324472
O 2.553132 3.322371 0.237623
O -2.173966 -2.455266 -0.150390
O -2.473268 3.041119 -0.069755
O -5.562108 -1.788473 -1.626643
O -5.104653 -2.666198 1.052934
N -4.741396 1.676241 -0.193889
C 2.789007 -1.010356 0.404013
C 2.984360 -2.328410 -0.416276
C 3.922684 -0.101206 0.033030
C 1.459709 -0.271068 0.185089
C 4.422480 -2.898922 -0.246868
C 5.230487 -0.499510 -0.404386
C 5.559027 -1.941288 -0.723540
C 2.848212 -1.319283 1.948051
C 3.865320 1.285397 0.042496
C 1.405509 1.165125 0.176964
C 0.248521 -0.997449 0.107644
C 2.642207 2.058040 0.187103
C -0.996498 -0.346759 0.027115
C 5.932449 0.688263 -0.599222
C 0.154751 1.817393 0.105476
C -1.046748 1.078493 0.033598
C -3.512526 -0.461933 -0.071050
C -2.246568 -1.187204 -0.068482
C -3.606429 0.926126 -0.111613
C -2.340919 1.778191 -0.049034
C -6.303517 -0.092789 0.553637
C -6.099958 1.128673 -0.341092
H 2.783993 -2.123553 -1.486236
H 2.259494 -3.095605 -0.086993
H 4.496252 -3.846820 -0.810937
H 4.584494 -3.159311 0.815482
H 5.683016 -2.038404 -1.820395
H 6.520840 -2.252714 -0.274897
H 2.707783 -0.395483 2.535671
H 2.049037 -2.032115 2.219688
H 3.822530 -1.753953 2.226804
H 0.241796 -2.092025 0.104711
H 6.940793 0.922764 -0.930913
H 0.131667 2.912418 0.100044
H -6.032681 0.056230 1.609553
H -7.301365 -0.543324 0.445425
H -6.286946 0.836792 -1.395892
H -6.826095 1.916776 -0.076158
H -4.577684 2.692245 -0.216594


