%chk=000183259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183259

0 1
S -0.648195 3.011942 -2.145000
O -0.200512 2.620743 -0.569733
O -2.192275 3.467314 -1.844950
O 0.092997 4.161098 -2.530484
O -0.653999 1.779627 -2.881883
O 1.990349 -3.312047 -0.917376
N -2.740120 1.148245 -0.389345
N 3.180166 0.888134 2.513182
C -2.941112 -1.076304 0.924297
C -1.591988 1.027675 0.587672
C -1.658646 -0.324045 1.338475
C -2.918399 -1.365004 -0.605541
C -4.160225 -0.173727 1.221920
C -2.746166 -0.012107 -1.346860
C -4.025390 1.127856 0.399761
C -0.242560 1.236245 -0.151992
C -1.830638 -2.340690 -0.961034
C 0.945431 1.090897 0.775368
C 1.753712 -0.101508 0.752693
C -2.054683 -3.624552 -1.230817
C 1.277368 2.112456 1.632282
C 2.865578 -0.152725 1.645924
C 1.508435 -1.210454 -0.098019
C 2.414284 1.971230 2.495819
C 3.715626 -1.308870 1.668979
C 2.351057 -2.308659 -0.047679
C 3.468576 -2.371391 0.839333
C 2.832718 -4.487508 -0.996502
H -3.019202 -2.031365 1.485668
H -1.699712 1.872762 1.318878
H -1.650442 -0.151240 2.429426
H -0.773576 -0.956163 1.139979
H -3.909501 -1.798175 -0.888863
H -4.214161 0.049896 2.301550
H -5.099699 -0.697123 0.974609
H -1.810487 0.019033 -1.953687
H -3.569660 0.141676 -2.073776
H -4.869588 1.237319 -0.311474
H -4.047762 2.019773 1.058490
H -0.148313 0.568597 -1.047336
H -0.814809 -1.924772 -0.981406
H -1.262738 -4.317138 -1.481684
H -3.031552 -4.084684 -1.226554
H 0.702756 3.041004 1.646710
H 0.666165 -1.209058 -0.797871
H 2.680645 2.787312 3.179544
H 4.559883 -1.310445 2.364373
H -2.732293 2.779379 -1.312086
H 4.111248 -3.247458 0.852741
H 2.319731 -5.074588 -1.770731
H 2.836200 -5.018693 -0.040766
H 3.840877 -4.214021 -1.321019


%chk=000183259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183259

0 1
S -0.719554 2.972289 -2.409681
O -0.166675 2.741740 -0.537123
O -2.377439 3.024523 -2.153212
O -0.050466 4.358026 -2.854252
O -0.262515 1.573852 -3.117924
O 2.397301 -3.165973 -1.095083
N -2.681132 1.097887 -0.430791
N 3.098853 0.843878 2.796652
C -2.998011 -1.009882 1.007271
C -1.497218 0.982458 0.545352
C -1.577392 -0.422223 1.214382
C -3.204514 -1.375880 -0.502159
C -4.052037 0.064026 1.393745
C -2.778390 -0.125142 -1.335291
C -3.963487 1.238735 0.374481
C -0.142658 1.331492 -0.146254
C -2.442134 -2.611492 -0.936777
C 1.010337 1.130889 0.833373
C 1.859986 -0.037494 0.807424
C -3.019668 -3.745479 -1.402789
C 1.250635 2.107124 1.806106
C 2.893321 -0.130079 1.827726
C 1.750827 -1.088565 -0.152369
C 2.298066 1.926349 2.761846
C 3.752782 -1.272164 1.844102
C 2.608943 -2.196017 -0.105425
C 3.622418 -2.294390 0.904033
C 3.316642 -4.307415 -1.152452
H -3.128998 -1.914358 1.625548
H -1.671014 1.779325 1.292554
H -1.349752 -0.323854 2.289533
H -0.815885 -1.102833 0.796316
H -4.284484 -1.569227 -0.656189
H -3.859566 0.423486 2.420938
H -5.068053 -0.368732 1.382580
H -1.799427 -0.250419 -1.826410
H -3.502922 0.117011 -2.129830
H -4.796113 1.231240 -0.349006
H -3.942421 2.227633 0.860996
H 0.007072 0.709265 -1.052586
H -1.343951 -2.563399 -0.867378
H -2.419886 -4.611241 -1.703225
H -4.108553 -3.840328 -1.503731
H 0.657272 3.026374 1.814051
H 1.028271 -1.045365 -0.973147
H 2.485637 2.692752 3.522875
H 4.519273 -1.308201 2.624101
H -2.570074 1.987534 -1.107130
H 4.296609 -3.155020 0.940579
H 2.979903 -4.899001 -2.016029
H 3.255610 -4.922339 -0.233816
H 4.360026 -3.975680 -1.313301


