%chk=000198215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198215

0 1
S 1.065159 -2.428867 -1.252670
S 3.593007 -0.395806 -0.388810
S 2.767382 -2.249230 -0.125500
O -0.055409 -1.679820 1.803021
O 1.743962 1.906877 -1.691152
O 2.019247 2.811034 1.498209
N 0.329545 0.163263 -1.269751
N 1.468061 -0.058518 1.309350
C 0.026852 -1.046943 -0.529327
C 2.231796 0.663686 0.313058
C 0.469702 -0.987229 0.954536
C 1.426464 0.988788 -0.965380
C -1.414344 -1.558390 -0.642728
C 2.931443 1.934422 0.847801
C -0.367270 0.416031 -2.559172
C 1.977549 -0.090999 2.705833
C -2.481639 -0.536728 -0.339576
C -2.595051 0.027136 0.939442
C -3.407365 -0.185034 -1.335154
C -3.603853 0.955687 1.208805
C -4.417032 0.740709 -1.058576
C -4.514192 1.318066 0.211100
H -1.542304 -2.414001 0.073744
H -1.589867 -2.000110 -1.648829
H 3.300483 2.561514 -0.001528
H 3.766282 1.690087 1.530504
H -1.345490 0.892472 -2.369093
H -0.506790 -0.511091 -3.134628
H 0.229900 1.114452 -3.181877
H 1.851802 0.901890 3.174322
H 3.037635 -0.391935 2.750285
H 1.397198 -0.826374 3.303099
H -1.907860 -0.268959 1.733676
H -3.349214 -0.635143 -2.323996
H 1.601219 2.372815 2.278003
H -3.682280 1.395229 2.202496
H -5.131029 1.011421 -1.835138
H -5.297600 2.042901 0.423299


%chk=000198215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198215

0 1
S 1.070389 -2.545682 -1.295220
S 3.793195 -0.340085 -0.464203
S 2.981322 -2.418014 -0.063788
O -0.095581 -1.675228 1.853401
O 1.778231 1.989339 -1.662377
O 1.842350 2.880597 1.419561
N 0.341572 0.200095 -1.243460
N 1.531710 -0.098338 1.319329
C 0.032277 -0.999110 -0.489282
C 2.234867 0.684734 0.330748
C 0.474004 -0.952989 0.988700
C 1.421921 1.025662 -0.930866
C -1.435365 -1.491482 -0.621246
C 2.868499 1.969284 0.911909
C -0.275350 0.373260 -2.579792
C 2.139508 -0.258989 2.664472
C -2.529291 -0.462736 -0.323651
C -2.625941 0.198715 0.928794
C -3.525604 -0.205729 -1.301184
C -3.675919 1.109245 1.181666
C -4.581625 0.697849 -1.047206
C -4.655752 1.366375 0.195619
H -1.516735 -2.343218 0.077336
H -1.583063 -1.889476 -1.642150
H 3.350202 2.517946 0.089724
H 3.620478 1.710548 1.681304
H -1.347586 0.600159 -2.485502
H -0.128953 -0.546040 -3.176967
H 0.234661 1.212848 -3.073858
H 2.070039 0.670630 3.256651
H 3.199364 -0.549722 2.561427
H 1.587687 -1.054237 3.185786
H -1.901331 -0.020562 1.718216
H -3.482266 -0.728073 -2.265822
H 1.361020 2.455275 2.175135
H -3.735318 1.610636 2.154287
H -5.341524 0.878425 -1.815629
H -5.469993 2.071394 0.395834


