%chk=000255655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255655

0 1
S -3.028932 -1.761640 -0.172912
O -2.575125 -2.533059 0.970685
O -4.161724 -2.234591 -0.943215
O 2.344302 1.580030 -3.091186
N -1.727686 -1.637916 -1.313507
C 2.059394 -0.244978 -0.048373
C 1.511934 0.132976 -1.315021
C -0.428335 -1.206219 -0.873280
C 3.370943 0.415270 0.110895
C 0.289242 -0.329438 -1.739180
C 3.628671 1.199862 -1.057283
C 2.476005 1.064228 -2.012313
C -1.731981 -2.610049 -2.447070
C 1.361871 -1.099056 0.784426
C 0.109819 -1.587787 0.359891
C -3.262811 -0.126498 0.303514
C 4.288678 0.373038 1.144272
C 4.792478 1.930550 -1.183236
C -1.214879 -3.992092 -2.056863
C -4.002642 0.740934 -0.508969
C -2.723863 0.339440 1.509165
C 5.478162 1.122456 1.010693
C 5.727566 1.885210 -0.125913
C -3.651403 2.540068 1.080770
C -4.196445 2.067823 -0.126284
C -2.913698 1.664250 1.898053
C -3.840507 3.962934 1.485063
H -0.130447 -0.032583 -2.701387
H -2.781443 -2.679555 -2.827382
H -1.118374 -2.189343 -3.275427
H 1.763386 -1.404765 1.748944
H -0.434613 -2.285488 1.012796
H 4.109905 -0.218552 2.038296
H 4.987047 2.527323 -2.075109
H -0.190346 -3.951977 -1.666789
H -1.834970 -4.463069 -1.281820
H -1.212993 -4.668540 -2.919565
H -4.438392 0.377605 -1.446394
H -2.155341 -0.341456 2.153853
H 6.210547 1.096831 1.818550
H 6.651656 2.455376 -0.209115
H -4.770613 2.737437 -0.764162
H -2.490120 2.020665 2.835172
H -4.770525 4.395144 1.089568
H -3.867446 4.091630 2.576319
H -3.012853 4.586071 1.109129


%chk=000255655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255655

0 1
S -2.961336 -1.812488 0.012486
O -2.317883 -2.486951 1.360076
O -4.305034 -2.441874 -0.662608
O 1.784273 2.512974 -2.268942
N -1.696328 -1.689863 -1.468347
C 2.185687 -0.420937 -0.204344
C 1.396076 0.348246 -1.112518
C -0.381170 -1.305747 -1.018610
C 3.468953 0.294586 0.026550
C 0.121574 -0.067491 -1.512993
C 3.458903 1.499167 -0.740376
C 2.157336 1.591866 -1.491764
C -1.866186 -2.870009 -2.371064
C 1.683344 -1.629160 0.309136
C 0.400541 -2.070298 -0.102558
C -3.228945 0.011943 0.369435
C 4.581992 -0.023867 0.823941
C 4.540953 2.391737 -0.724117
C -1.284845 -4.225595 -1.917601
C -4.093924 0.735919 -0.467277
C -2.574119 0.569532 1.477328
C 5.680946 0.876800 0.843312
C 5.664787 2.070304 0.080670
C -3.645198 2.723311 0.926296
C -4.296683 2.101000 -0.173887
C -2.792932 1.939458 1.746844
C -3.848103 4.201157 1.204096
H -0.490018 0.532139 -2.193817
H -2.954661 -2.963637 -2.539527
H -1.410920 -2.554303 -3.330416
H 2.260233 -2.229577 1.020641
H -0.013891 -2.993283 0.310357
H 4.613208 -0.941622 1.421121
H 4.509105 3.309214 -1.320942
H -0.187374 -4.191346 -1.803148
H -1.734117 -4.550527 -0.961880
H -1.521699 -4.991347 -2.679002
H -4.602328 0.245384 -1.303072
H -1.935503 -0.052463 2.112796
H 6.556826 0.644110 1.459179
H 6.526019 2.745938 0.114171
H -4.968745 2.691512 -0.807183
H -2.294655 2.402287 2.606063
H -4.893949 4.507493 1.025247
H -3.587484 4.459566 2.244458
H -3.209630 4.815241 0.540089


