%chk=000256893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256893

0 1
S -0.762805 -2.007205 -0.560331
O -0.044103 -1.845738 -1.802666
O -1.386421 -3.273545 -0.227629
O 2.926403 -1.961318 -0.315770
O 3.547822 2.595440 -0.511846
N 0.230801 -1.597465 0.817208
N 1.687518 1.812857 0.592298
N 3.244307 0.293123 -0.460649
N -0.202988 1.002978 1.842105
C 1.182681 -0.553853 0.553484
C 0.873628 0.733653 0.987119
C 2.455113 -0.868878 -0.086538
C -1.946821 -0.739496 -0.450731
C 2.903149 1.621227 -0.171313
C 0.779033 -2.752901 1.576721
C -1.834368 0.390134 -1.266203
C -3.022497 -0.860475 0.433698
C 1.401277 3.196358 1.050729
C 4.515211 0.077119 -1.206726
C -3.851221 1.307636 -0.276352
C -2.775370 1.416672 -1.174469
C -3.967164 0.161624 0.530678
C -4.875131 2.388738 -0.191619
H -0.017723 -3.504839 1.725925
H 1.123669 -2.410290 2.565799
H 1.633631 -3.245561 1.072890
H -1.009671 0.466312 -1.986647
H -3.131378 -1.763409 1.045667
H 0.459673 3.567859 0.616582
H 2.212110 3.878785 0.710097
H 1.362534 3.251500 2.152028
H 4.657254 0.861663 -1.970069
H 4.485088 -0.910980 -1.706866
H 5.374553 0.092566 -0.516110
H -0.810730 0.208403 2.047701
H -0.707490 1.870990 1.731449
H -2.687473 2.290448 -1.817644
H -4.806468 0.061198 1.216562
H -5.266809 2.520860 0.826511
H -4.495069 3.364954 -0.521902
H -5.739055 2.151557 -0.835070


%chk=000256893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256893

0 1
S -1.253438 -0.225131 1.825492
O 0.092868 0.792361 0.851499
O -1.056640 -1.830921 1.529805
O 2.325062 -2.392162 -0.319831
O 2.971114 2.044615 -1.597438
N 2.059496 -1.375410 2.474458
N 2.218973 1.656617 0.583136
N 2.500218 -0.155555 -0.977807
N 1.501393 1.188983 2.851190
C 1.997607 -0.678926 1.381795
C 1.490311 0.767248 1.502018
C 2.270842 -1.163060 -0.022656
C -2.549882 0.300663 0.568123
C 2.571530 1.247491 -0.701976
C 2.351018 -2.811617 2.540297
C -3.005513 1.631756 0.539598
C -3.057700 -0.686856 -0.292616
C 2.283773 3.093546 0.900749
C 2.772205 -0.550845 -2.380026
C -4.544714 1.012280 -1.285500
C -4.008053 1.978237 -0.393035
C -4.057573 -0.320852 -1.217850
C -5.597630 1.399878 -2.307477
H 1.392806 -3.345689 2.381513
H 2.720540 -3.048422 3.551659
H 3.048674 -3.173596 1.764767
H -2.591027 2.387791 1.214914
H -2.666559 -1.708939 -0.223765
H 1.273889 3.545502 0.902427
H 2.884032 3.585232 0.121596
H 2.755155 3.225335 1.888035
H 2.086232 -0.014763 -3.054610
H 2.619813 -1.637092 -2.452688
H 3.806798 -0.291528 -2.657736
H 1.634758 0.419870 3.517404
H 0.923710 1.983271 3.115913
H -4.373804 3.010909 -0.430999
H -4.465577 -1.078373 -1.897329
H -6.321903 0.583117 -2.473656
H -6.158015 2.298084 -1.995745
H -5.130090 1.625650 -3.285548


