%chk=000233129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233129

0 1
S -0.222398 -2.209179 0.391019
O -3.794619 1.998646 0.695706
O -0.859579 -2.709442 -0.820034
O -0.195826 -3.023424 1.586545
O 5.990339 0.546215 0.824176
N -1.022986 -0.767301 0.861526
N 5.218741 -0.384660 -1.142820
C -1.671971 0.106824 -0.151860
C -1.415575 1.543276 0.255586
C -3.155122 -0.178171 -0.265070
C -2.457858 2.386642 0.663519
C -4.113232 0.745936 0.170812
C -0.112965 2.065531 0.267174
C -3.619799 -1.387501 -0.806708
C 1.356131 -1.669025 -0.028026
C -2.247088 3.712580 1.076107
C -5.494548 0.502134 0.111173
C 0.122227 3.380725 0.670370
C -4.987304 -1.652838 -0.881540
C -0.942384 4.199508 1.076121
C -5.920841 -0.713663 -0.418431
C 2.189038 -1.085003 0.934339
C 1.816723 -1.825534 -1.341949
C 3.466356 -0.645757 0.596282
C 3.090389 -1.398953 -1.701951
C 3.925127 -0.802850 -0.725446
C 6.196369 0.266501 -0.335184
C 7.472681 0.561271 -1.067094
H -1.193472 -0.079134 -1.155520
H -1.499346 -0.744329 1.772237
H 0.720682 1.427882 -0.031819
H -2.894195 -2.132006 -1.168391
H -3.091709 4.324468 1.384364
H -6.194333 1.252582 0.470369
H 1.136938 3.773062 0.676057
H -5.331481 -2.597059 -1.299784
H -0.747979 5.224116 1.393338
H -6.986860 -0.933975 -0.476055
H 1.841230 -0.969067 1.967281
H 1.166411 -2.290193 -2.095963
H 4.109432 -0.186846 1.356966
H 3.432851 -1.529695 -2.725187
H 5.456107 -0.581455 -2.119274
H 7.973439 -0.346966 -1.430574
H 8.185186 1.063132 -0.387631
H 7.327273 1.235095 -1.922656


%chk=000233129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233129

0 1
S -0.165847 -1.676795 -0.428188
O -4.058125 1.908867 1.159169
O -0.695360 -1.756995 -1.976171
O -0.412256 -2.887867 0.636017
O 6.637081 -1.359050 1.349097
N -0.855477 -0.061524 0.281990
N 5.813894 -0.605577 -0.717850
C -2.046505 0.485805 -0.487617
C -2.022213 1.990518 -0.255435
C -3.377698 -0.132829 -0.078551
C -2.990541 2.616292 0.567118
C -4.282153 0.572173 0.753683
C -1.006203 2.802032 -0.817513
C -3.731614 -1.447844 -0.476009
C 1.677860 -1.335583 -0.492514
C -2.947515 4.000941 0.844243
C -5.480130 -0.011341 1.218279
C -0.951829 4.186117 -0.563271
C -4.928204 -2.043884 -0.030859
C -1.924838 4.784477 0.278150
C -5.798943 -1.326109 0.827253
C 2.464198 -1.705459 0.609140
C 2.208976 -0.751342 -1.654101
C 3.853733 -1.471567 0.562681
C 3.595471 -0.522110 -1.699161
C 4.424602 -0.870965 -0.594625
C 6.836776 -0.844922 0.211937
C 8.228974 -0.431727 -0.256580
H -1.828683 0.249085 -1.546395
H -1.110986 -0.307770 1.261842
H -0.241476 2.324819 -1.440841
H -3.050752 -1.998766 -1.135636
H -3.717739 4.434359 1.488929
H -6.140483 0.576300 1.862856
H -0.158536 4.796247 -1.007087
H -5.179555 -3.062019 -0.344340
H -1.886642 5.858965 0.487073
H -6.727036 -1.786924 1.182072
H 2.007058 -2.190498 1.477576
H 1.561390 -0.514217 -2.503730
H 4.500142 -1.745244 1.397712
H 4.037802 -0.073916 -2.597423
H 6.103257 -0.184843 -1.603580
H 8.893632 -1.311760 -0.219887
H 8.637049 0.312951 0.448318
H 8.255645 -0.008401 -1.275668


