%chk=000189806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189806

0 1
S -2.842282 -4.348433 -0.010175
O 2.164783 3.543405 -0.926392
O 2.028017 2.036935 -2.586667
O 2.517517 -0.489469 1.733228
O 6.368751 1.763324 2.373055
O 4.418604 2.749109 1.893183
N 2.133360 0.082282 -0.441391
N -2.804001 -0.754178 -1.447543
N -3.456601 -0.127562 1.266649
N -1.726728 1.512461 1.305805
N -0.372670 1.945874 -0.720770
N -0.673177 0.739909 -2.696107
N -0.011086 3.134384 1.279395
C 2.890250 1.349739 -0.367263
C 4.400261 1.150585 -0.619326
C 5.123397 0.735311 0.662201
C 2.308567 2.282356 -1.434280
C 1.893629 -0.689811 0.705062
C 0.809170 -1.707310 0.540548
C -4.419318 -2.592666 -1.447688
C -3.487086 -3.785600 -1.621402
C -1.384327 -3.373974 0.209517
C -3.731033 -1.433421 -0.780438
C 5.197253 1.854181 1.655870
C -0.173983 -1.769861 1.538958
C 0.735124 -2.542159 -0.583207
C -1.279913 -2.609196 1.372572
C -0.369138 -3.381599 -0.750721
C -2.143003 0.249409 -0.769324
C -4.068452 -1.087405 0.595249
C -2.430105 0.571789 0.605635
C -1.071450 0.997462 -1.410654
C -0.725187 2.165207 0.616249
H 2.748713 1.819062 0.659088
H 4.845075 2.085506 -1.020247
H 4.559877 0.378927 -1.401162
H 4.581523 -0.119258 1.156963
H 6.139228 0.344769 0.436562
H 1.651594 -0.108149 -1.321749
H -5.323156 -2.886475 -0.871843
H -4.797623 -2.274330 -2.447215
H -4.026488 -4.649578 -2.058798
H -2.656012 -3.540605 -2.310615
H -0.086162 -1.147072 2.435205
H 1.532706 -2.542303 -1.325731
H -2.056348 -2.639761 2.141450
H -0.431151 -4.028340 -1.625724
H -4.861908 -1.642131 1.117966
H 1.720166 4.165615 -1.571163
H 6.444202 2.459187 3.079647
H -1.213772 0.117511 -3.280136
H 0.052712 1.306802 -3.132026
H 0.818091 3.535654 0.851571
H -0.142807 3.259190 2.274427


%chk=000189806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189806

0 1
S -2.635635 -4.578564 -0.067785
O 2.434361 3.604664 -1.490174
O 1.968059 1.735497 -2.780602
O 2.257143 -0.024542 1.750120
O 5.540073 0.826214 2.938642
O 4.487719 2.657378 1.979048
N 2.378226 0.113394 -0.567350
N -2.827660 -0.784944 -1.264878
N -3.546634 0.043303 1.390994
N -1.844935 1.702427 1.332165
N -0.449656 1.966001 -0.695546
N -0.782208 0.596619 -2.582217
N -0.117866 3.271438 1.204918
C 2.985160 1.452200 -0.545667
C 4.542924 1.442218 -0.647030
C 5.193319 0.748236 0.563149
C 2.395489 2.237823 -1.710946
C 1.914153 -0.469973 0.608571
C 0.929759 -1.593703 0.441405
C -4.466817 -2.635369 -1.201925
C -3.483608 -3.766621 -1.575131
C -1.189349 -3.454055 0.146316
C -3.796089 -1.433662 -0.566858
C 5.010058 1.526748 1.853339
C 0.038142 -1.842173 1.515398
C 0.799959 -2.350416 -0.753172
C -1.023921 -2.757311 1.366589
C -0.243942 -3.285790 -0.894128
C -2.201829 0.257469 -0.636545
C -4.146963 -0.981661 0.750089
C -2.522717 0.686432 0.704866
C -1.122362 0.969582 -1.314771
C -0.842793 2.273695 0.605634
H 2.713584 1.945621 0.404010
H 4.890920 2.489465 -0.709849
H 4.841913 0.919290 -1.574616
H 4.780852 -0.264212 0.717081
H 6.280123 0.620423 0.395862
H 1.973373 -0.168701 -1.465251
H -5.244131 -3.027955 -0.522368
H -4.974927 -2.317610 -2.136386
H -4.010181 -4.596102 -2.076697
H -2.687803 -3.390029 -2.237455
H 0.162301 -1.268822 2.439471
H 1.521567 -2.239380 -1.571583
H -1.747181 -2.897533 2.175806
H -0.328393 -3.880643 -1.809826
H -4.949483 -1.489868 1.298371
H 2.041472 4.083175 -2.270164
H 5.362689 1.334396 3.775890
H -1.306317 -0.170266 -3.004184
H 0.017084 1.037990 -3.043116
H 0.665474 3.692253 0.708933
H -0.314893 3.501254 2.175853


