%chk=000180091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180091

0 1
S -3.905432 -0.921957 0.506729
O -3.999163 1.775142 0.197388
O 1.942986 -3.044603 -0.005517
N 1.225106 -0.216834 0.066879
N -1.732329 3.677442 -0.247622
N -0.081143 -4.043668 -0.343211
C -0.080986 0.321049 0.126058
C -0.244588 1.732638 -0.082751
C -1.185795 -0.501761 0.385002
C 0.893361 2.592071 -0.304327
C -1.545288 2.312633 -0.066100
C -1.002722 -1.960924 0.685110
C 2.219957 1.985643 -0.334843
C -2.472054 0.081515 0.360354
C 2.347536 0.583167 -0.159542
C -2.670159 1.440565 0.143930
C -0.786334 -2.765851 -0.611485
C 0.671411 3.947447 -0.480834
C 3.396426 2.739161 -0.542418
C 3.624356 -0.041252 -0.209916
C -0.660423 4.445010 -0.442647
C 4.641084 2.130807 -0.582155
C 4.749590 0.733474 -0.417883
C 1.278700 -4.076096 -0.058928
C -4.730657 -0.301868 1.994620
C -4.433201 3.089492 -0.240622
C 1.883683 -5.446173 0.185872
C 1.959040 -6.263314 -1.096929
H -1.869230 -2.370562 1.247512
H -0.142282 -2.098861 1.377293
H 1.356307 -1.245189 0.156935
H -1.762843 -2.986463 -1.095497
H -0.192588 -2.170984 -1.346178
H 1.492319 4.638919 -0.648301
H 3.315230 3.820052 -0.673973
H 3.696700 -1.124392 -0.088042
H -0.845631 5.518486 -0.579234
H -0.646402 -4.884183 -0.318995
H 5.538284 2.722737 -0.741356
H 5.734236 0.266085 -0.457067
H -4.971521 0.767005 1.897200
H -4.114667 -0.442443 2.887180
H -5.665703 -0.861209 2.111774
H -4.091658 3.849056 0.470086
H -5.522268 2.970171 -0.223992
H -4.066476 3.302381 -1.248503
H 2.907177 -5.297609 0.600710
H 1.323921 -5.991791 0.971078
H 2.522151 -5.732971 -1.878032
H 2.471142 -7.218782 -0.923425
H 0.968240 -6.492207 -1.505684


%chk=000180091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180091

0 1
S -4.070135 -0.853836 0.795957
O -3.971672 2.134324 0.532144
O 1.722647 -3.090933 -0.169258
N 1.118491 -0.285737 -0.009035
N -1.678242 3.762242 0.025002
N -0.350140 -4.078702 -0.442962
C -0.143541 0.307013 0.149087
C -0.244278 1.733393 0.001696
C -1.285205 -0.474939 0.464285
C 0.924273 2.540561 -0.248599
C -1.532173 2.381226 0.128426
C -1.116599 -1.963382 0.706926
C 2.227428 1.870944 -0.378379
C -2.559196 0.175043 0.544068
C 2.279896 0.443526 -0.260663
C -2.696007 1.569894 0.368940
C -1.024297 -2.775315 -0.621852
C 0.740349 3.936995 -0.351091
C 3.442474 2.567627 -0.626382
C 3.516644 -0.249787 -0.403445
C -0.560591 4.484302 -0.205808
C 4.664153 1.887045 -0.761173
C 4.695147 0.469832 -0.651280
C 1.004087 -4.149823 -0.220622
C -4.766854 -0.119210 2.394193
C -4.502427 2.938211 -0.590991
C 1.607063 -5.540199 -0.031054
C 2.881569 -5.735301 -0.884388
H -1.966676 -2.341261 1.298917
H -0.194688 -2.144485 1.290706
H 1.219954 -1.320135 -0.001050
H -2.035071 -2.954773 -1.026341
H -0.457995 -2.199139 -1.376193
H 1.579248 4.611934 -0.537652
H 3.428871 3.658612 -0.715785
H 3.525335 -1.341512 -0.317626
H -0.703009 5.569822 -0.279010
H -0.900410 -4.938303 -0.456717
H 5.586989 2.444760 -0.950949
H 5.644665 -0.066400 -0.758921
H -4.960431 0.948049 2.223028
H -4.050848 -0.268817 3.216277
H -5.701615 -0.666563 2.595506
H -3.844715 3.803179 -0.774028
H -5.500700 3.265316 -0.260364
H -4.593970 2.308734 -1.497133
H 1.869077 -5.643395 1.040094
H 0.861046 -6.325091 -0.259442
H 3.602764 -4.927792 -0.674587
H 3.358084 -6.703848 -0.652980
H 2.648631 -5.713707 -1.963792


