%chk=000255752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255752

0 1
S 3.477683 -0.905694 -1.686368
O -2.292149 -0.161113 -1.879448
O -2.747408 -2.673530 1.972901
N 0.756370 -0.643937 -1.628017
N -0.603907 -2.394591 1.187160
N -2.524957 -1.420271 0.037245
N 1.602956 -1.897427 0.099629
C 2.293790 2.703985 1.560407
C 1.239370 2.809885 0.450578
C 3.731276 2.843985 1.039743
C -0.181452 2.685228 1.017662
C 4.159306 1.734165 0.068503
C -1.238537 2.707919 -0.094181
C 4.124463 0.345902 0.718196
C -2.658804 2.619113 0.481246
C 4.543650 -0.777949 -0.214532
C -3.710026 2.537495 -0.634255
C -0.335925 -1.068836 -0.851848
C 0.221481 -1.834699 0.214019
C 1.890024 -1.167620 -1.033058
C -1.747285 -0.810832 -1.006025
C -5.130231 2.515391 -0.073680
C -2.017928 -2.197030 1.123253
C 0.654397 0.149410 -2.853166
C -0.021432 -3.205525 2.283498
C -4.002325 -1.236809 -0.006264
H 2.109874 3.485222 2.324036
H 2.180226 1.736459 2.088931
H 1.412251 2.018313 -0.304545
H 1.349929 3.771290 -0.085387
H 3.847144 3.824147 0.535836
H 4.424444 2.869304 1.903625
H -0.373205 3.505322 1.735965
H -0.273204 1.747789 1.600028
H 3.501228 1.755267 -0.823058
H 5.178562 1.950477 -0.305696
H -1.067675 1.868350 -0.797293
H -1.135627 3.630609 -0.696253
H 3.105825 0.146839 1.120555
H 4.787731 0.336916 1.609592
H -2.745785 1.733735 1.140126
H -2.859984 3.495170 1.126550
H 5.566939 -0.626442 -0.614566
H 4.536227 -1.750545 0.321537
H -3.529558 1.629692 -1.251842
H -3.595347 3.393952 -1.326125
H -5.869216 2.406053 -0.875189
H -5.277648 1.687695 0.628521
H -5.364500 3.441659 0.463518
H 1.307880 1.040710 -2.801105
H 0.941201 -0.445645 -3.740559
H -0.394787 0.494229 -3.003868
H 0.666109 -2.589678 2.889649
H 0.547699 -4.056314 1.867579
H -0.825137 -3.595795 2.937264
H -4.429522 -1.276873 1.011984
H -4.243244 -0.255270 -0.460436
H -4.468830 -2.029948 -0.614275


%chk=000255752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255752

0 1
S 3.231118 -0.551723 -1.911650
O -2.668385 -0.619848 -2.031664
O -2.675854 -2.800609 2.152610
N 0.452266 -0.695267 -1.804158
N -0.586830 -2.278560 1.217968
N -2.639215 -1.723299 0.070286
N 1.478267 -1.613703 0.029772
C 2.428080 2.767302 1.763768
C 1.403408 2.888916 0.612029
C 3.913077 2.839308 1.319448
C -0.061998 2.783852 1.092259
C 4.330131 1.790473 0.255123
C -1.091492 2.852051 -0.058983
C 4.091796 0.332299 0.703157
C -2.552837 2.669579 0.409433
C 4.354413 -0.729432 -0.374101
C -3.577939 2.718894 -0.747283
C -0.566711 -1.170765 -0.953969
C 0.101627 -1.718966 0.152783
C 1.652363 -0.986804 -1.169834
C -1.997453 -1.123131 -1.072557
C -5.033929 2.541805 -0.264917
C -2.003385 -2.300180 1.206120
C 0.272280 -0.038467 -3.109963
C 0.142112 -2.853835 2.364031
C -4.120046 -1.752991 0.092100
H 2.241217 3.577149 2.498682
H 2.243466 1.819090 2.308835
H 1.585117 2.091272 -0.137233
H 1.555136 3.853096 0.082699
H 4.118144 3.850750 0.912784
H 4.558394 2.726775 2.215306
H -0.272122 3.591665 1.824265
H -0.194599 1.826979 1.640938
H 3.773650 1.975056 -0.684080
H 5.403691 1.930701 0.012224
H -0.852705 2.068088 -0.808894
H -0.992556 3.824913 -0.584762
H 3.058583 0.199312 1.068902
H 4.756375 0.096406 1.561776
H -2.648102 1.696463 0.937015
H -2.800810 3.452830 1.156757
H 5.366734 -0.657331 -0.809896
H 4.180351 -1.748659 0.004918
H -3.334998 1.924557 -1.480612
H -3.478686 3.687343 -1.279748
H -5.747310 2.579732 -1.108702
H -5.164011 1.565957 0.241478
H -5.316497 3.333243 0.455460
H 0.829768 0.913936 -3.130449
H 0.638614 -0.688404 -3.923859
H -0.802878 0.149441 -3.251399
H 0.767768 -2.081123 2.841879
H 0.794070 -3.676100 2.024379
H -0.605604 -3.230992 3.076599
H -4.497668 -1.193710 0.964028
H -4.470378 -1.292531 -0.843105
H -4.474619 -2.793502 0.170302


