%chk=000206279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206279

0 1
S 1.242609 -1.231811 0.829833
O 0.781134 -2.607598 0.856997
O 1.054170 -0.406878 2.002211
N 0.407083 -0.473264 -0.491200
N 1.724490 1.583584 -0.631006
C -0.828168 -1.185318 -0.932183
C -2.040440 -0.866929 -0.044446
C 0.701392 0.851418 -0.948403
C -0.218557 1.462675 -1.995557
C -3.284308 -1.621536 -0.527121
C 2.887856 -1.193905 0.329397
C -0.829417 2.793263 -1.529644
C 3.527204 0.039037 0.143740
C -4.509498 -1.277577 0.330769
C 2.757040 1.319106 0.369495
C -1.621305 2.661745 -0.224131
C -5.758895 -2.031283 -0.146298
C 3.583981 -2.389536 0.124107
C -2.490166 3.897611 0.040249
C 4.873483 0.069785 -0.245295
C 4.925525 -2.358373 -0.262093
C 5.566692 -1.126889 -0.445375
C -6.981117 -1.690878 0.703508
C -3.258478 3.773925 1.354204
H -1.049034 -0.924022 -1.993952
H -0.621313 -2.284940 -0.919631
H -2.235414 0.232311 -0.040525
H -1.826146 -1.130830 1.011054
H 0.379546 1.641076 -2.917260
H -1.025251 0.762237 -2.297079
H -3.490065 -1.381055 -1.587714
H -3.098011 -2.713634 -0.491533
H -0.018701 3.540864 -1.395326
H -1.478619 3.185553 -2.336410
H -4.696277 -0.186820 0.305715
H -4.306868 -1.522185 1.391960
H 3.439652 2.206153 0.314550
H 2.336481 1.344913 1.413650
H -2.257716 1.746628 -0.248931
H -0.920002 2.507144 0.621419
H -5.574426 -3.123191 -0.113745
H -5.963037 -1.790091 -1.207686
H 3.075180 -3.350842 0.267450
H -1.853901 4.804475 0.064213
H -3.201045 4.047537 -0.795481
H 5.375480 1.024164 -0.399753
H 5.470211 -3.287456 -0.420738
H 6.614773 -1.101274 -0.748787
H -6.825384 -1.952206 1.756666
H -7.216188 -0.621280 0.663598
H -7.867377 -2.235105 0.358741
H -3.867414 4.664708 1.543232
H -2.579839 3.653506 2.207325
H -3.931505 2.909291 1.349917


%chk=000206279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206279

0 1
S 1.084139 -1.681156 0.802876
O 0.805609 -3.233065 0.399476
O 0.764769 -1.200518 2.324850
N 0.110613 -0.655152 -0.469322
N 1.187718 1.538748 -0.050683
C -1.066637 -1.421503 -0.953320
C -2.285862 -1.398703 -0.003532
C 0.275164 0.759364 -0.566697
C -0.740253 1.413367 -1.533121
C -3.479827 -2.188466 -0.584636
C 2.837680 -1.242701 0.269062
C -0.721127 2.956451 -1.525504
C 3.225252 0.105260 0.386062
C -4.708882 -2.193568 0.352210
C 2.261008 1.170319 0.900066
C -1.355513 3.578519 -0.262023
C -5.907655 -2.983516 -0.220796
C 3.645584 -2.282393 -0.207653
C -1.348434 5.123722 -0.290392
C 4.544872 0.407168 -0.031993
C 4.960249 -1.947375 -0.609650
C 5.402508 -0.606894 -0.519950
C -7.133664 -2.978193 0.717657
C -1.986307 5.750844 0.968117
H -1.331905 -1.030682 -1.951574
H -0.734364 -2.467314 -1.096547
H -2.590535 -0.352283 0.198328
H -1.992421 -1.835721 0.970933
H -0.514038 1.039424 -2.553003
H -1.760707 1.063358 -1.288399
H -3.770621 -1.757046 -1.566139
H -3.167199 -3.234939 -0.781714
H 0.323424 3.304109 -1.616791
H -1.273286 3.308171 -2.422236
H -5.022548 -1.147983 0.554247
H -4.420576 -2.626130 1.332458
H 2.835335 2.090649 1.100673
H 1.825432 0.831385 1.864019
H -2.402245 3.220798 -0.154579
H -0.798888 3.225302 0.626925
H -5.594448 -4.029551 -0.415712
H -6.190429 -2.555084 -1.204261
H 3.257517 -3.304182 -0.266111
H -0.301956 5.476608 -0.392210
H -1.886120 5.477600 -1.194565
H 4.894302 1.443859 0.030282
H 5.627238 -2.727230 -0.990561
H 6.420329 -0.349825 -0.832335
H -6.884329 -3.428800 1.696832
H -7.485704 -1.946000 0.904469
H -7.976291 -3.550120 0.287406
H -1.966826 6.855682 0.926673
H -1.447801 5.436398 1.881952
H -3.041248 5.434994 1.077135


