%chk=000267802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267802

0 1
S 5.370301 -1.686482 -1.209499
O 6.512472 -2.116150 -0.427757
O 4.759073 -2.563757 -2.186235
O -5.059403 -2.362920 0.037717
O -5.472957 -0.241608 -0.721757
N 0.413170 1.647472 1.978999
N -3.157491 1.392324 -0.279826
N -0.282379 3.793900 0.351168
N -3.483572 -0.855931 0.446575
N 5.900603 -0.306589 -2.089231
N -2.848048 3.549527 -1.147739
C 1.131583 0.470410 2.510742
C 2.191306 -0.058034 1.566916
C -0.722752 1.518113 1.180351
C 4.156309 -1.064139 -0.151815
C 1.846600 -0.472907 0.272405
C 3.522256 -0.152528 2.000383
C -1.156484 2.642268 0.409694
C 2.829110 -0.974236 -0.584051
C 4.500947 -0.656762 1.140518
C -1.500174 0.339292 1.174653
C -2.700843 0.328492 0.438059
C -2.380195 2.528541 -0.295452
C -4.746901 -1.020122 -0.165453
C -6.316968 -2.836423 -0.543452
C -6.171323 -2.993187 -2.041430
H 1.579478 0.775678 3.488282
H 0.410543 -0.349556 2.756144
H 1.011625 2.462840 1.791170
H 0.811825 -0.401807 -0.070139
H 3.799704 0.164380 3.004584
H 2.552716 -1.307478 -1.591102
H 5.538131 -0.740654 1.486064
H -1.188719 -0.523466 1.750810
H -0.719279 4.595573 0.799933
H -0.094603 4.042346 -0.619400
H -3.086175 -1.677005 0.918374
H 6.848877 0.027402 -1.932950
H 5.692166 -0.261794 -3.084224
H -2.749583 4.497054 -0.814738
H -3.763379 3.376811 -1.563711
H -6.430362 -3.798413 -0.009580
H -7.119327 -2.130670 -0.263172
H -5.285712 -3.586754 -2.302913
H -6.060693 -2.014670 -2.535383
H -7.046474 -3.485079 -2.481829


%chk=000267802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267802

0 1
S 4.702534 -2.401178 -1.476364
O 4.946068 -3.794969 -0.667600
O 4.068244 -2.330408 -2.975400
O -4.370456 -2.583276 0.008512
O -5.299888 -0.521317 -0.672958
N 0.509924 2.290895 1.548847
N -3.381264 1.606814 0.020579
N -0.984480 4.458134 0.745916
N -3.135097 -0.738579 0.331875
N 6.349713 -1.573408 -1.562401
N -3.677174 3.889575 -0.316424
C 1.372564 1.321523 2.204882
C 2.179754 0.405746 1.272197
C -0.756421 2.017496 1.050352
C 3.697576 -1.260812 -0.369023
C 2.188404 0.602542 -0.128992
C 2.934702 -0.657847 1.831767
C -1.545088 3.133494 0.622598
C 2.953506 -0.235686 -0.970785
C 3.709650 -1.505905 1.013510
C -1.293917 0.706178 0.947233
C -2.608824 0.573657 0.427587
C -2.847897 2.867105 0.114644
C -4.361220 -1.169215 -0.169189
C -5.566988 -3.282229 -0.529701
C -5.383719 -3.621199 -2.012521
H 2.086320 1.878139 2.842479
H 0.779261 0.684250 2.895524
H 0.716966 3.295593 1.583559
H 1.586097 1.410204 -0.555433
H 2.917482 -0.828270 2.915399
H 2.950324 -0.115982 -2.058895
H 4.282656 -2.342824 1.425025
H -0.709388 -0.174212 1.229118
H -1.411091 5.083144 1.435614
H -0.694537 4.928642 -0.116072
H -2.539212 -1.496547 0.670486
H 7.052933 -2.240853 -1.202782
H 6.516332 -1.301573 -2.546029
H -3.371422 4.857325 -0.306643
H -4.596239 3.632365 -0.668785
H -5.646022 -4.187513 0.094293
H -6.451007 -2.638096 -0.375496
H -4.470226 -4.220650 -2.169693
H -5.314904 -2.700031 -2.615566
H -6.249530 -4.206941 -2.374541


