%chk=000232714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232714

0 1
S -3.206667 1.793538 1.373747
O 4.005626 0.907090 -1.163624
N -0.727954 1.406950 0.411063
N 1.986298 0.409090 0.565716
C 0.010617 1.358116 1.715505
C 0.243782 1.624970 -0.713660
C 1.018306 0.190982 1.687963
C 1.257889 0.465496 -0.744668
C -1.786145 2.441106 0.414337
C 3.128973 -0.463755 0.556551
C 4.237544 -0.146525 -0.298045
C 3.281501 -1.551435 1.423713
C 5.424807 -0.872720 -0.250690
C 4.481394 -2.278973 1.477499
C -3.943267 0.576529 0.339387
C 5.545385 -1.942220 0.650519
C -5.304882 0.710557 0.054599
C -3.213310 -0.519875 -0.123522
C 5.098058 1.334139 -2.011563
C -5.226834 -1.383787 -1.174640
C -5.946915 -0.274646 -0.699164
C -3.856622 -1.497331 -0.886652
C -5.911805 -2.427263 -1.996333
H -0.723991 1.181165 2.532784
H 0.542704 2.307526 1.943687
H 0.787814 2.591410 -0.629990
H -0.320898 1.638225 -1.670159
H 1.580777 0.179508 2.647290
H 0.469792 -0.772966 1.600389
H 0.738448 -0.490281 -0.972678
H 1.996322 0.650251 -1.560455
H -2.114558 2.667034 -0.621499
H -1.515246 3.401059 0.904141
H 2.465179 -1.855931 2.076441
H 6.263305 -0.623940 -0.893322
H 4.567108 -3.111635 2.172323
H 6.476803 -2.503169 0.692015
H -5.867634 1.572572 0.414920
H -2.145806 -0.609258 0.102476
H -7.007470 -0.179007 -0.920015
H -3.292067 -2.351087 -1.254278
H 5.946426 1.663780 -1.404652
H 4.647032 2.181984 -2.542870
H 5.377407 0.537164 -2.705971
H -5.453295 -3.418210 -1.878890
H -6.973313 -2.533342 -1.735751
H -5.863817 -2.171985 -3.065475


%chk=000232714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232714

0 1
S -3.262753 1.820482 1.473543
O 4.052104 0.881146 -1.230258
N -0.661291 1.383194 0.425118
N 1.985455 0.244198 0.549105
C 0.073804 1.312595 1.706423
C 0.267156 1.509333 -0.727739
C 1.068572 0.139293 1.702665
C 1.251750 0.329125 -0.739681
C -1.754038 2.349739 0.422090
C 3.215985 -0.463151 0.601708
C 4.297374 -0.150269 -0.296234
C 3.463744 -1.461956 1.584633
C 5.531935 -0.828044 -0.208280
C 4.708580 -2.122999 1.685318
C -4.069388 0.589518 0.363680
C 5.745498 -1.814744 0.784057
C -5.480237 0.616731 0.253178
C -3.329299 -0.397435 -0.330644
C 5.161405 1.294727 -2.090053
C -5.419327 -1.328397 -1.264524
C -6.142849 -0.342588 -0.544714
C -4.005208 -1.334168 -1.143863
C -6.135310 -2.332200 -2.152319
H -0.661954 1.166303 2.518773
H 0.631936 2.261735 1.903368
H 0.849625 2.461633 -0.687205
H -0.324044 1.501121 -1.662692
H 1.656232 0.174897 2.636794
H 0.494493 -0.817814 1.686777
H 0.679383 -0.612497 -0.912855
H 1.976554 0.462587 -1.555305
H -2.115854 2.500216 -0.608153
H -1.491589 3.336646 0.867600
H 2.661862 -1.742074 2.273999
H 6.344858 -0.579145 -0.897160
H 4.854350 -2.884882 2.458792
H 6.712079 -2.325634 0.844726
H -6.053886 1.384484 0.783726
H -2.239799 -0.422475 -0.220421
H -7.237333 -0.315958 -0.615792
H -3.422598 -2.094227 -1.679819
H 6.021270 1.652600 -1.491052
H 4.761347 2.121867 -2.695572
H 5.490538 0.472042 -2.754788
H -5.575799 -3.281861 -2.222672
H -7.147220 -2.559895 -1.772854
H -6.251310 -1.942898 -3.182925


