%chk=000262777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262777

0 1
S -0.842478 0.037180 1.084776
O 2.909708 -0.981077 2.718049
O 1.566542 1.078653 -1.213144
O 3.510477 2.447093 1.455731
O 1.821193 3.692705 2.228925
N 2.066822 0.290472 0.945104
C 1.400467 1.310813 1.768653
C 0.002655 1.639310 1.248250
C -2.553634 0.508017 0.615163
C 2.796052 -0.815716 1.533743
C 2.086646 0.262485 -0.500177
C 3.300339 -1.602648 0.362016
C 2.879951 -0.967537 -0.840034
C -2.604188 1.385024 -0.603788
C -3.220316 -0.832086 0.461370
C 2.208854 2.616238 1.843281
C 4.048950 -2.759627 0.335984
C 3.206967 -1.487345 -2.073748
C 4.386563 -3.295354 -0.929950
C 3.976172 -2.675305 -2.104268
C -3.667895 2.298725 -0.713017
C -3.777831 -1.445577 1.597068
C -1.646015 1.321915 -1.624855
C -3.289817 -1.484581 -0.778473
C -3.764493 3.138921 -1.823908
C -4.397149 -2.692466 1.488521
C -1.744712 2.169799 -2.732822
C -3.912717 -2.731688 -0.881253
C -2.801084 3.078479 -2.836403
C -4.467276 -3.338031 0.249484
H 1.346565 0.912138 2.833573
H 0.038672 2.154977 0.261139
H -0.531844 2.316350 1.942329
H -2.999970 1.062070 1.482910
H 4.371973 -3.249717 1.255573
H 2.886751 -1.004356 -2.997815
H 4.978701 -4.211084 -0.973918
H 4.245979 -3.103916 -3.071010
H -4.425650 2.350697 0.067072
H -3.722533 -0.954997 2.567990
H -0.806037 0.623922 -1.567162
H -2.861144 -1.020598 -1.667240
H -4.591253 3.843149 -1.900728
H -4.825059 -3.163188 2.372173
H -0.987294 2.121268 -3.514549
H -3.964717 -3.231054 -1.847392
H 4.037205 3.292980 1.520906
H -2.873728 3.737251 -3.699202
H -4.951272 -4.308982 0.166971


%chk=000262777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262777

0 1
S -0.892984 -0.314482 0.953463
O 2.644851 -1.508595 2.499377
O 2.377952 1.529045 -1.086711
O 3.521333 2.285635 1.969284
O 1.545876 3.441508 2.368071
N 2.266499 0.187886 0.875232
C 1.436922 1.058788 1.708305
C 0.036182 1.325933 1.118710
C -2.640506 0.394997 0.542566
C 2.823528 -1.041550 1.349564
C 2.685168 0.489301 -0.452862
C 3.621233 -1.582175 0.205886
C 3.539221 -0.666771 -0.872084
C -2.669464 1.229490 -0.734568
C -3.596462 -0.796704 0.560787
C 2.133267 2.393955 2.030876
C 4.362555 -2.768638 0.105212
C 4.198503 -0.906881 -2.086662
C 5.031251 -3.022083 -1.120643
C 4.950749 -2.105132 -2.199542
C -3.587344 2.309146 -0.814519
C -4.095130 -1.260829 1.806335
C -1.848562 0.949855 -1.855059
C -3.989496 -1.464972 -0.625467
C -3.689813 3.085090 -1.990289
C -4.968906 -2.367145 1.866675
C -1.946644 1.726357 -3.031157
C -4.863439 -2.574004 -0.566347
C -2.869425 2.794993 -3.105213
C -5.356108 -3.029366 0.677746
H 1.331076 0.518543 2.674444
H 0.109225 1.806503 0.131191
H -0.518950 1.982956 1.807277
H -2.877800 1.045544 1.404764
H 4.417961 -3.467906 0.945178
H 4.130802 -0.191679 -2.912303
H 5.619539 -3.938376 -1.237789
H 5.478603 -2.327343 -3.133115
H -4.227553 2.539555 0.046366
H -3.787020 -0.755802 2.730111
H -1.117502 0.135493 -1.786190
H -3.624153 -1.108706 -1.594076
H -4.401681 3.917126 -2.033663
H -5.346384 -2.712474 2.835694
H -1.295961 1.503251 -3.884103
H -5.161704 -3.079754 -1.491672
H 3.931487 3.161009 2.206449
H -2.941193 3.401164 -4.015200
H -6.035499 -3.888053 0.721570


