%chk=000247468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247468

0 1
S 4.523870 0.458885 0.034299
O 2.269415 0.697768 -2.408839
O 3.264916 -2.297147 1.108773
N 1.623584 2.030772 -0.629225
N 1.755472 -1.494880 -0.469362
N 0.297803 1.780305 -0.883242
N 0.675784 -1.853780 0.292386
N -4.323768 1.864526 0.387383
N -2.594647 -3.141417 2.604653
C 4.037690 1.725564 -1.188242
C 4.160958 -1.123745 -0.806806
C 4.366187 3.071278 -0.583535
C 5.402097 -1.987487 -0.772560
C 2.575533 1.443281 -1.495962
C 3.054816 -1.717700 0.073093
C -0.612679 2.228861 -0.061682
C -0.524458 -1.551654 -0.127548
C -2.026577 1.988256 -0.395436
C -1.675592 -1.939740 0.702263
C -2.452172 1.708703 -1.705316
C -2.955342 -1.454809 0.385725
C -3.003594 2.052587 0.625677
C -1.542564 -2.787754 1.828276
C -3.811426 1.510311 -1.955345
C -4.042187 -1.810918 1.186225
C -4.717815 1.600536 -0.886800
C -3.823913 -2.656066 2.286186
H 4.615865 1.585018 -2.140681
H 3.833889 -0.956795 -1.864051
H 3.958807 3.893828 -1.190809
H 5.456921 3.228203 -0.535039
H 3.994025 3.199877 0.442487
H 6.257729 -1.505104 -1.262648
H 5.231333 -2.949070 -1.279894
H 5.705842 -2.234010 0.259742
H 1.928001 2.533716 0.214036
H 1.632448 -1.000482 -1.374481
H -0.435585 2.779472 0.874712
H -0.768101 -1.011033 -1.056381
H -1.722273 1.649174 -2.518095
H -3.101898 -0.800649 -0.474150
H -2.729062 2.254368 1.668768
H -0.560431 -3.193082 2.117904
H -4.164134 1.295359 -2.962337
H -5.038632 -1.433386 0.968284
H -5.795334 1.461612 -1.036503
H -4.645902 -2.962752 2.942597


%chk=000247468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247468

0 1
S 4.380487 0.778146 0.174866
O 1.913505 0.104098 -2.120425
O 3.298868 -2.187203 1.841545
N 1.490941 2.214653 -1.203161
N 1.939220 -1.737866 -0.033071
N 0.133913 1.969466 -1.036179
N 0.771323 -2.199134 0.543742
N -4.170858 3.859374 0.239517
N -2.984060 -3.536021 2.097195
C 3.833645 1.484666 -1.531310
C 4.311556 -1.136060 -0.140483
C 4.308893 2.946475 -1.599693
C 5.656071 -1.752576 0.263351
C 2.336528 1.215357 -1.670265
C 3.146763 -1.740728 0.675940
C -0.603527 2.977893 -0.618215
C -0.322516 -2.067274 -0.184119
C -2.030441 2.797005 -0.338462
C -1.621472 -2.527218 0.316106
C -2.651689 1.515941 -0.325076
C -2.779896 -2.399460 -0.498678
C -2.839911 3.929714 -0.043346
C -1.787692 -3.106092 1.611810
C -4.023711 1.428287 -0.029363
C -4.026266 -2.841610 -0.006989
C -4.744123 2.618660 0.243266
C -4.083497 -3.401255 1.290333
H 4.339453 0.878182 -2.299689
H 4.126228 -1.230381 -1.225036
H 3.957505 3.429707 -2.530127
H 5.411024 2.977091 -1.592122
H 3.969282 3.547808 -0.734510
H 6.486781 -1.276161 -0.283142
H 5.652059 -2.835727 0.040499
H 5.819360 -1.642339 1.348033
H 1.903394 3.106053 -0.890673
H 1.908402 -1.260457 -0.959861
H -0.188726 3.992912 -0.448996
H -0.309793 -1.605352 -1.191462
H -2.048587 0.625437 -0.523876
H -2.697089 -1.971812 -1.506250
H -2.403961 4.937611 -0.034045
H -0.917515 -3.220428 2.266270
H -4.528538 0.458006 0.007855
H -4.933324 -2.767105 -0.615581
H -5.813002 2.588328 0.482029
H -5.030106 -3.759811 1.710349


