%chk=000192278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192278

0 1
S 2.217200 -2.512145 0.434086
S -2.239708 2.475193 -0.875177
O 2.392370 0.674054 1.488831
O -2.541183 -0.853048 -1.425136
N 3.848525 0.349931 -0.219388
N -3.887576 -0.281219 0.301766
C 0.238924 -0.610839 0.223783
C -0.316495 0.636988 -0.484311
C 1.676316 -0.889401 -0.204288
C -1.738616 0.942742 -0.018875
C 2.653504 0.083470 0.449673
C -2.721057 -0.134317 -0.452615
C 4.860296 1.206838 0.442690
C 4.327214 -0.430776 -1.379006
C -4.187299 0.448505 1.549240
C -4.902089 -1.275472 -0.118014
H 0.199046 -0.470193 1.327665
H -0.410521 -1.480888 -0.008693
H 0.344365 1.506544 -0.276355
H -0.304941 0.477449 -1.585442
H 1.758678 -0.869096 -1.317975
H -1.749623 1.102736 1.088340
H 1.432237 -3.308561 -0.323703
H -3.534765 2.521714 -0.497054
H 5.187125 2.004279 -0.243516
H 5.736548 0.623855 0.767502
H 4.421085 1.688698 1.340915
H 5.149213 0.099607 -1.888161
H 3.518698 -0.567464 -2.118677
H 4.696188 -1.428092 -1.077718
H -4.633162 -0.228260 2.300077
H -4.903568 1.267994 1.364739
H -3.274088 0.876123 2.002262
H -4.616579 -1.718949 -1.094722
H -5.888290 -0.799576 -0.235094
H -4.979669 -2.095726 0.613450


%chk=000192278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192278

0 1
S 2.181571 -2.711367 0.268188
S -2.327840 2.758742 -0.338004
O 2.333292 0.648133 1.548482
O -2.555093 -0.561674 -1.537892
N 3.879472 0.210988 -0.138461
N -3.909476 -0.282121 0.340850
C 0.196318 -0.644450 0.244541
C -0.324711 0.709979 -0.299699
C 1.639946 -0.919489 -0.203983
C -1.759506 0.993164 0.171687
C 2.645389 0.037898 0.475537
C -2.773075 -0.011587 -0.406411
C 4.838279 1.164700 0.448943
C 4.290033 -0.448217 -1.392005
C -4.224981 0.386919 1.617768
C -4.889309 -1.256173 -0.173600
H 0.173736 -0.642993 1.349264
H -0.456654 -1.456619 -0.124840
H 0.324746 1.528693 0.056238
H -0.313556 0.697176 -1.406036
H 1.721724 -0.857725 -1.303363
H -1.797171 1.033706 1.273408
H 1.216537 -3.333565 -0.509997
H -2.379944 2.466715 -1.692103
H 5.090622 1.958504 -0.279912
H 5.769496 0.645874 0.745585
H 4.375197 1.617732 1.338201
H 4.006862 0.147460 -2.283132
H 3.855337 -1.458387 -1.466660
H 5.388231 -0.561129 -1.390852
H -3.648911 -0.034499 2.464679
H -5.297147 0.246424 1.833347
H -4.036321 1.472488 1.550332
H -4.493152 -1.681883 -1.107824
H -5.858710 -0.764459 -0.382897
H -5.052926 -2.066259 0.561721


