%chk=000198757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198757

0 1
S -4.068347 -0.548811 -1.080273
O 4.751484 -0.371550 0.731526
O -2.763628 -1.119948 -0.871918
O -4.557170 -0.411935 -2.423162
O -5.213070 2.022170 1.519822
N -4.151319 1.011212 -0.290187
N 1.466121 0.781964 -0.324350
C 3.826525 0.121026 -0.302556
C 4.489321 1.172850 -1.187853
C 2.668175 0.667785 0.552999
C -2.029243 2.308122 0.090676
C -3.347630 2.193367 -0.689672
C 5.731146 0.583708 -1.865432
C -0.916730 1.426288 -0.481538
C 0.379102 1.576867 0.330596
C 6.607086 -0.103591 -0.859719
C -5.248196 -1.244374 -0.010960
C 6.069444 -0.536007 0.370629
C -5.672601 -0.302902 0.953435
C -5.022140 1.055520 0.820218
C 7.966040 -0.333248 -1.098916
C -5.760389 -2.525426 -0.017255
C 6.857649 -1.167605 1.347515
C -6.608996 -0.638816 1.915370
C 8.763019 -0.967327 -0.140529
C -6.716758 -2.877239 0.960811
C 8.209123 -1.377853 1.078017
C -7.132834 -1.949408 1.910537
H 3.533298 -0.780846 -0.883170
H 3.756018 1.536010 -1.936132
H 4.771996 2.059506 -0.586453
H 2.934412 1.667858 0.958929
H 2.526016 0.007119 1.438220
H -1.707502 3.369911 0.083673
H -2.203072 2.063283 1.158607
H -3.164809 2.141790 -1.786835
H -3.962464 3.109623 -0.508343
H 5.435839 -0.139045 -2.655066
H 6.290344 1.386879 -2.386186
H -0.722770 1.685839 -1.541721
H -1.237158 0.359575 -0.490028
H 0.705650 2.640718 0.341355
H 0.201293 1.283728 1.388110
H 1.117338 -0.159028 -0.549723
H 8.408676 -0.012979 -2.041126
H -5.443686 -3.264742 -0.756241
H 6.405163 -1.478440 2.284961
H -6.933632 0.093491 2.658407
H 9.816885 -1.139537 -0.341934
H -7.128219 -3.887748 0.965134
H 8.836499 -1.866789 1.822081
H -7.872496 -2.229915 2.663451


%chk=000198757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198757

0 1
S -3.981567 -0.408814 -1.321709
O 4.962263 0.091338 1.009637
O -2.557378 -1.184030 -1.273228
O -4.543152 0.073224 -2.764288
O -5.153956 1.783333 1.804382
N -4.022624 1.068579 -0.119848
N 1.459075 0.909012 0.068746
C 3.825567 0.200201 0.052688
C 4.281509 0.855472 -1.258373
C 2.736821 0.976326 0.808456
C -2.024645 2.567331 0.244054
C -3.372083 2.343055 -0.476599
C 5.359337 -0.020314 -1.932276
C -0.899788 1.624918 -0.230594
C 0.400523 1.810349 0.574000
C 6.440370 -0.414453 -0.931416
C -5.252387 -1.266837 -0.228185
C 6.195219 -0.327232 0.467670
C -5.579783 -0.449736 0.866508
C -4.921521 0.899110 0.930647
C 7.720566 -0.849344 -1.351488
C -5.776322 -2.543015 -0.449025
C 7.201776 -0.649460 1.408697
C -6.506804 -0.933161 1.812373
C 8.731118 -1.186638 -0.425479
C -6.709175 -3.015127 0.510159
C 8.467198 -1.079078 0.961947
C -7.067626 -2.217836 1.625467
H 3.473040 -0.835332 -0.156196
H 3.398228 0.988884 -1.907027
H 4.690114 1.858510 -1.027530
H 3.040546 2.037703 0.887931
H 2.678257 0.576381 1.849090
H -1.729796 3.621694 0.066144
H -2.187403 2.463557 1.334042
H -3.242179 2.360670 -1.576450
H -4.085607 3.145173 -0.208072
H 4.884579 -0.929751 -2.354928
H 5.816603 0.516378 -2.784397
H -0.681482 1.799319 -1.302443
H -1.234485 0.570584 -0.148730
H 0.761571 2.853852 0.471026
H 0.182357 1.653996 1.662005
H 1.112997 -0.059524 -0.000861
H 7.925031 -0.915014 -2.428078
H -5.489800 -3.150529 -1.312205
H 6.970490 -0.560142 2.474913
H -6.769532 -0.300475 2.666169
H 9.712527 -1.521368 -0.777959
H -7.154077 -4.007075 0.382463
H 9.243516 -1.330325 1.693262
H -7.789226 -2.603240 2.352706


