%chk=000251175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251175

0 1
S 3.826049 -2.615209 -0.152677
O -2.115676 0.591716 -0.853364
O -3.730097 -0.136510 2.137818
O -3.547621 2.555407 1.903588
O 0.062004 2.622166 0.241185
O -6.711519 -1.499491 -0.808652
O 4.285711 -2.491699 -1.512616
O 4.209701 -3.776749 0.629656
O 3.666130 3.970104 0.113139
N -4.992728 -0.113423 -1.348401
N -1.959895 -1.517313 0.319362
N 4.619394 -1.366571 0.794749
N 3.388808 0.418695 -0.170224
N 3.126760 1.690613 -0.337823
C -4.183699 -0.558905 -0.199052
C -4.324291 0.457744 0.964878
C -3.526803 1.762501 0.725452
C -2.702395 -0.705736 -0.654960
C -2.070064 1.457052 0.308636
C -1.298498 2.690559 -0.181269
C -0.578631 -1.757560 0.174701
C -6.263892 -0.671411 -1.580432
C 0.144864 -1.333493 -0.961083
C 0.076804 -2.485961 1.202782
C -6.965252 -0.159770 -2.801074
C 1.503097 -1.612822 -1.051897
C 1.429944 -2.765813 1.082814
C 2.158905 -2.325453 -0.033813
C 4.431708 0.007567 0.627202
C 5.273147 0.966254 1.288064
C 5.006187 2.302353 1.106728
C 3.896539 2.637335 0.270885
C 2.492686 4.352500 -0.664663
H -4.574026 -1.560942 0.153647
H -5.393696 0.685953 1.169287
H -4.044672 2.402798 -0.026054
H -2.609275 -1.139148 -1.686263
H -1.513935 0.949908 1.129594
H -4.584341 0.596606 -1.949591
H -1.667610 3.615960 0.308728
H -1.350101 2.784758 -1.281874
H -2.325962 -1.499879 1.283102
H -4.417404 -0.586966 2.674835
H -3.196976 2.035096 2.671544
H 0.538971 1.875005 -0.206353
H -0.339220 -0.752373 -1.744634
H -0.476966 -2.831297 2.071628
H -7.145343 0.923140 -2.765748
H -7.952936 -0.644960 -2.896970
H -6.414200 -0.379624 -3.726344
H 2.071710 -1.261063 -1.924688
H 1.935350 -3.339526 1.869165
H 5.376280 -1.644282 1.432141
H 6.100719 0.632880 1.911564
H 5.594534 3.095375 1.566463
H 2.568444 3.954990 -1.680190
H 1.580871 3.992389 -0.162407
H 2.566303 5.444627 -0.642218


%chk=000251175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251175

0 1
S 3.984642 -2.647392 -0.030734
O -2.175016 0.652035 -0.836745
O -3.897361 -0.457860 2.155441
O -3.840844 2.291202 2.130603
O -0.109371 2.673644 0.062518
O -6.874312 -1.121201 -0.862743
O 4.463939 -2.559914 -1.576081
O 4.412753 -3.911738 0.900907
O 3.791622 4.041204 -0.086903
N -4.874581 -0.132456 -1.478975
N -1.937268 -1.485928 0.373004
N 4.705020 -1.260972 0.994649
N 3.600132 0.423331 -0.222549
N 3.336681 1.748349 -0.483211
C -4.170538 -0.678727 -0.310133
C -4.433759 0.216692 0.935207
C -3.726011 1.591572 0.852062
C -2.663212 -0.758056 -0.633312
C -2.244879 1.448379 0.422620
C -1.569318 2.784124 0.111727
C -0.578688 -1.805640 0.241017
C -6.220623 -0.403068 -1.682321
C 0.157396 -1.443724 -0.927445
C 0.083882 -2.494506 1.299857
C -6.842712 0.198972 -2.934211
C 1.530372 -1.719283 -1.014242
C 1.459584 -2.777762 1.219002
C 2.148785 -2.365005 0.066660
C 4.576923 0.090789 0.678085
C 5.395814 1.076908 1.322229
C 5.130935 2.415942 1.049932
C 4.064248 2.709677 0.147722
C 2.636041 4.348036 -0.966382
H -4.586537 -1.682910 -0.108863
H -5.523151 0.362990 1.047742
H -4.262103 2.224101 0.122485
H -2.508281 -1.198899 -1.634498
H -1.670477 0.927971 1.215742
H -4.354918 0.501947 -2.090635
H -1.782210 3.497677 0.923652
H -1.975178 3.182389 -0.843107
H -2.375975 -1.529655 1.300069
H -4.632171 -0.934579 2.612529
H -3.604446 1.628422 2.834518
H 0.156198 1.940585 -0.550856
H -0.323849 -0.891336 -1.737256
H -0.481654 -2.801020 2.187092
H -6.145060 0.826620 -3.514546
H -7.720222 0.804222 -2.649553
H -7.208414 -0.616900 -3.581570
H 2.124009 -1.401229 -1.874889
H 1.980986 -3.305111 2.023894
H 5.508708 -1.609491 1.528580
H 6.195888 0.785174 2.009636
H 5.703703 3.230889 1.498684
H 2.787203 3.902172 -1.964617
H 1.702755 3.959755 -0.522717
H 2.628814 5.446691 -1.020767


