%chk=000190469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190469

0 1
S -5.463063 -2.258423 1.809660
O -6.472315 -3.274661 1.624915
O -4.390862 -2.444050 2.749823
N -0.640418 1.382167 -1.406216
N 3.268710 1.652830 0.260999
N -2.162857 0.000421 -3.310308
N -4.816017 -2.083907 0.211668
C 1.379192 0.268890 -0.471981
C 0.637462 1.424760 -0.799486
C 2.698785 0.440103 0.084825
C 1.240285 2.719026 -0.618935
C 3.483227 -0.735571 0.484509
C 2.567135 2.776157 -0.095801
C 2.949392 -2.026925 0.275986
C 0.911072 -1.084678 -0.692525
C -1.664667 0.461741 -0.958764
C 1.644413 -2.166996 -0.341264
C 0.586854 3.958841 -0.926296
C -2.412121 -0.252141 -1.952649
C 4.762317 -0.601644 1.076739
C 3.212958 4.053741 0.087905
C 3.697930 -3.163909 0.665707
C -1.949692 0.274052 0.397790
C -3.728229 -1.262198 -0.160332
C -3.442444 -1.112573 -1.531392
C 1.215909 5.158936 -0.739937
C -2.966651 -0.581603 0.811604
C 2.552539 5.205658 -0.228165
C 5.482831 -1.724241 1.452104
C 4.946496 -3.011752 1.246170
C -2.648194 -0.948662 -4.337351
C -6.213072 -0.715873 2.101624
H -1.048595 2.310036 -1.602473
H -0.059683 -1.222568 -1.170249
H 1.274516 -3.176931 -0.512887
H -0.432485 3.932236 -1.317137
H 5.172468 0.400538 1.233891
H 4.230531 4.053331 0.482172
H 3.281251 -4.156415 0.506826
H -1.351095 0.796079 1.149666
H -4.026617 -1.656684 -2.266362
H 0.717470 6.097201 -0.974675
H -3.105127 -0.762744 1.878298
H 3.024915 6.179056 -0.096858
H 6.464995 -1.618802 1.908184
H 5.522542 -3.885626 1.547881
H -1.242368 0.395344 -3.527407
H -5.198960 -2.682823 -0.534050
H -3.752416 -0.985189 -4.330698
H -2.267142 -1.975087 -4.201627
H -2.339094 -0.592279 -5.334681
H -5.658150 0.139651 1.683002
H -7.230613 -0.641073 1.687274
H -6.314847 -0.488164 3.175286


%chk=000190469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190469

0 1
S -5.296303 -2.880901 0.904140
O -6.346416 -3.719155 -0.042635
O -3.736972 -3.365296 1.039092
N -0.412787 1.094316 -1.599373
N 3.494446 1.620377 0.089446
N -2.413620 0.435280 -3.337832
N -5.321321 -0.734750 0.526522
C 1.524064 0.172040 -0.333050
C 0.853694 1.250281 -0.987524
C 2.846632 0.430299 0.222056
C 1.513316 2.523071 -1.109919
C 3.546591 -0.646105 0.935786
C 2.859603 2.642140 -0.575328
C 2.942793 -1.946030 1.032040
C 0.978667 -1.167169 -0.245465
C -1.594041 0.562651 -1.039375
C 1.656847 -2.176860 0.407472
C 0.908914 3.678235 -1.712945
C -2.663561 0.255918 -1.960558
C 4.819624 -0.424075 1.533497
C 3.562646 3.884842 -0.724519
C 3.628576 -2.986176 1.728146
C -1.781789 0.375278 0.353736
C -4.101480 -0.324289 -0.037465
C -3.901058 -0.174866 -1.446760
C 1.617099 4.874803 -1.836341
C -3.014285 -0.068176 0.851427
C 2.961485 4.975825 -1.350177
C 5.477933 -1.459324 2.215650
C 4.880029 -2.748335 2.315165
C -3.471849 0.221498 -4.332397
C -6.025958 -2.859815 2.666212
H -0.577487 1.672599 -2.432098
H 0.010277 -1.384020 -0.701852
H 1.219780 -3.180734 0.460607
H -0.133929 3.643893 -2.050259
H 5.260111 0.572616 1.442216
H 4.578711 3.934140 -0.321394
H 3.161878 -3.975758 1.798107
H -0.963148 0.608920 1.040222
H -4.717185 -0.437607 -2.128713
H 1.138598 5.748454 -2.291972
H -3.172650 -0.195698 1.925743
H 3.506491 5.919937 -1.457184
H 6.456104 -1.277029 2.674004
H 5.399183 -3.551803 2.849225
H -1.470196 0.175598 -3.641571
H -6.074969 -0.769661 -0.195626
H -4.322630 0.896346 -4.130359
H -3.854034 -0.822077 -4.348861
H -3.079603 0.462642 -5.334207
H -5.359974 -2.224927 3.264298
H -7.036474 -2.438781 2.582067
H -6.031970 -3.905978 3.002883


