%chk=000218912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218912

0 1
S -6.858157 0.205367 -1.628209
O -0.576023 -0.989748 0.259297
N -5.288107 -0.131307 0.524132
N 1.195246 0.528021 0.025915
C -3.979047 0.540140 0.232612
C -6.354342 0.840459 0.921408
C -5.795305 -0.923023 -0.607611
C -2.855338 -0.497741 0.372940
C -7.041848 1.448341 -0.307065
C -1.491877 0.165021 0.217002
C 3.486716 -0.387729 -0.032222
C 0.757105 -0.730956 0.159036
C 2.952052 -1.723022 0.113367
C 2.573668 0.704388 -0.071028
C 1.591924 -1.896628 0.208872
C 4.881488 -0.111765 -0.138718
C 5.342397 1.179968 -0.276347
C 3.066082 2.042892 -0.214563
C 3.868191 -2.899449 0.159367
C 4.413492 2.268394 -0.313999
C 6.801906 1.481280 -0.388969
H -3.949721 1.014062 -0.773252
H -3.825819 1.355825 0.973378
H -5.934653 1.625009 1.583614
H -7.090768 0.273526 1.538012
H -4.998262 -1.351932 -1.242415
H -6.426634 -1.751197 -0.223463
H -2.924804 -1.008680 1.356899
H -2.965427 -1.309389 -0.374927
H -8.112338 1.647883 -0.132203
H -6.574515 2.394311 -0.628883
H -1.229555 0.844318 1.045364
H -1.352316 0.676714 -0.750327
H 1.122110 -2.869632 0.320086
H 5.583397 -0.943467 -0.109578
H 2.340870 2.857239 -0.241180
H 4.570228 -2.826474 1.003871
H 3.331029 -3.851707 0.272196
H 4.465886 -2.976785 -0.761588
H 4.799179 3.281790 -0.423598
H 7.030959 1.989759 -1.336573
H 7.135832 2.140630 0.425077
H 7.426798 0.580092 -0.349028


%chk=000218912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218912

0 1
S -6.650790 0.510239 -1.857064
O -0.572638 -1.198834 0.353655
N -5.383387 -0.127575 0.530185
N 1.149417 0.393747 0.067347
C -4.008807 0.424768 0.353179
C -6.404125 0.888759 0.883776
C -5.897137 -0.852670 -0.606121
C -2.925876 -0.668466 0.457435
C -6.781589 1.713456 -0.396333
C -1.528066 -0.064565 0.302888
C 3.506479 -0.408219 -0.032198
C 0.775685 -0.879937 0.220573
C 3.046919 -1.775127 0.136263
C 2.512705 0.642851 -0.060041
C 1.676870 -1.996514 0.262065
C 4.886452 -0.056451 -0.170337
C 5.299196 1.274393 -0.331396
C 2.941681 1.995604 -0.224982
C 4.026433 -2.929721 0.173598
C 4.297972 2.301261 -0.356566
C 6.764950 1.641568 -0.479155
H -3.915411 0.958121 -0.622340
H -3.849960 1.169739 1.155628
H -6.029154 1.540149 1.691566
H -7.304617 0.362496 1.249962
H -5.125825 -1.415491 -1.147784
H -6.746568 -1.493715 -0.330158
H -3.014281 -1.179621 1.432634
H -3.068030 -1.434961 -0.327434
H -7.811866 2.098270 -0.337032
H -6.081742 2.548205 -0.565277
H -1.283626 0.647465 1.113809
H -1.403347 0.466373 -0.660048
H 1.264007 -3.000523 0.391212
H 5.643390 -0.849015 -0.149811
H 2.172454 2.773935 -0.243830
H 4.745780 -2.819823 1.007003
H 3.501601 -3.890617 0.301761
H 4.617491 -2.985225 -0.759982
H 4.610753 3.345352 -0.482358
H 6.958276 2.140318 -1.448027
H 7.085165 2.343295 0.314282
H 7.414862 0.751506 -0.423850


