%chk=000233063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233063

0 1
S -1.918879 -1.733751 -2.088850
O 2.935272 0.588483 0.612177
O 2.987777 -2.369554 1.895849
O 3.704451 -2.398288 -0.508394
O 3.050202 1.591142 -2.345716
O -3.523887 2.014968 0.894811
N 0.810407 0.506907 1.634784
N -0.814954 2.013183 2.283893
N -0.459538 -0.628512 -0.211862
N -2.730002 0.264344 -0.473648
C 2.089877 -1.608508 1.111776
C 2.147253 -0.121048 1.570431
C 2.537705 -1.575199 -0.378731
C 3.028889 -0.138833 -0.651220
C 2.216722 0.620640 -1.707228
C -0.293469 0.284794 0.804849
C 0.430468 1.595085 2.504891
C -1.307088 1.223701 1.231713
C -2.546085 1.166583 0.536769
C -1.687182 -0.575080 -0.788456
C -4.789605 1.935174 0.163080
C -3.586128 -1.411443 -2.683739
H 1.102435 -2.092897 1.278924
H 2.674788 0.026667 2.544634
H 1.740593 -1.920096 -1.068968
H 4.121711 -0.114523 -0.886051
H 1.331829 1.115449 -1.267466
H 1.902896 -0.031001 -2.546528
H 3.921455 -2.271129 1.549502
H 3.447810 -3.349830 -0.511131
H 1.118380 1.985567 3.243918
H 3.294934 2.296984 -1.707234
H -4.621435 2.155234 -0.895434
H -5.369007 2.720940 0.663010
H -5.234444 0.944535 0.296632
H -3.790806 -2.114528 -3.502065
H -3.697083 -0.385564 -3.061062
H -4.338663 -1.554396 -1.895958


%chk=000233063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233063

0 1
S -1.917600 -1.534475 -2.252000
O 2.727262 0.792008 0.314745
O 3.326508 -1.874622 2.003630
O 3.418591 -2.664565 -0.523507
O 3.611736 1.583187 -2.292993
O -3.751925 1.871353 1.099371
N 0.713806 0.642659 1.620054
N -0.986371 1.958037 2.452161
N -0.495797 -0.434373 -0.261088
N -2.820866 0.302047 -0.408205
C 2.189187 -1.394780 1.227900
C 2.081391 0.132741 1.463291
C 2.494467 -1.539141 -0.297645
C 3.221016 -0.229025 -0.658590
C 2.923506 0.313005 -2.058000
C -0.398276 0.401209 0.808228
C 0.296184 1.592613 2.577757
C -1.443364 1.220122 1.343152
C -2.689685 1.126849 0.665237
C -1.740317 -0.429100 -0.816776
C -5.025062 1.742536 0.352973
C -3.713280 -1.237294 -2.716654
H 1.266160 -1.925593 1.526495
H 2.631683 0.391854 2.384814
H 1.551071 -1.650495 -0.858358
H 4.311523 -0.349376 -0.512297
H 1.825245 0.418544 -2.184463
H 3.315941 -0.381942 -2.819909
H 3.830589 -2.493859 1.400855
H 2.916735 -3.457783 -0.834266
H 0.980227 1.970895 3.335152
H 3.350696 2.201110 -1.562198
H -4.886767 2.045102 -0.698439
H -5.710812 2.423148 0.876193
H -5.389470 0.702303 0.389440
H -3.896705 -1.878095 -3.593373
H -3.862081 -0.178575 -2.969601
H -4.367546 -1.522027 -1.881183


