%chk=000295798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295798

0 1
S 1.296867 -4.184373 0.402455
O -4.328388 0.694084 -0.029522
O -2.371507 1.830256 0.097358
N 0.185464 0.648637 -0.665734
N 0.649785 -1.642718 -0.183811
N -1.087541 -3.336573 -0.340633
C -1.602526 -1.026448 -0.899551
C -0.250481 -0.667625 -0.572907
C -2.600859 -0.057101 -1.438837
C 1.522380 1.094981 -0.369769
C 1.665269 2.309979 0.329960
C 2.654223 0.404101 -0.830374
C 4.079869 2.140656 0.103249
C -1.959040 -2.376523 -0.744239
C 2.939150 2.824643 0.558394
C 3.924232 0.930315 -0.588487
C -3.033792 0.932423 -0.382448
C 0.190860 -2.915733 -0.093066
C 5.438365 2.706122 0.362158
C -4.946632 1.555154 0.986001
C -5.326095 2.883833 0.370191
C 2.854680 -3.323371 0.674128
H -2.175262 0.502683 -2.304984
H -3.491461 -0.590499 -1.847352
H -0.541933 1.386363 -0.620817
H 0.789200 2.844461 0.696513
H 2.545016 -0.539777 -1.366005
H -2.982314 -2.719562 -0.951590
H 3.050001 3.763674 1.098602
H 4.800427 0.391592 -0.945854
H 6.241236 2.100762 -0.077730
H 5.535885 3.719343 -0.053012
H 5.640923 2.774454 1.440796
H -5.817902 0.936879 1.271139
H -4.241915 1.658878 1.830020
H -5.921350 3.490751 1.063693
H -4.433490 3.470562 0.104620
H -5.915025 2.753341 -0.546872
H 2.738820 -2.463114 1.350609
H 3.279209 -2.940431 -0.262480
H 3.558451 -4.034180 1.124086


%chk=000295798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295798

0 1
S 1.232072 -4.524175 0.086101
O -4.282570 0.784273 0.026702
O -2.230470 1.882795 0.076421
N 0.221198 0.486901 -0.454123
N 0.643700 -1.858558 -0.262208
N -1.148702 -3.485097 -0.554223
C -1.585059 -1.097142 -0.916555
C -0.215886 -0.822561 -0.538704
C -2.548710 -0.036837 -1.437472
C 1.521183 1.021309 -0.231947
C 1.598480 2.430436 -0.039577
C 2.719622 0.262482 -0.218373
C 4.051195 2.314508 0.167510
C -1.977227 -2.448256 -0.883408
C 2.841135 3.058751 0.155886
C 3.957250 0.914332 -0.023982
C -2.981675 0.975647 -0.382078
C 0.138117 -3.117338 -0.284043
C 5.388703 3.001092 0.384121
C -4.813922 1.712273 1.085683
C -5.400149 2.972013 0.445833
C 2.863685 -3.643584 0.387219
H -2.066270 0.534055 -2.255782
H -3.446495 -0.530160 -1.842371
H -0.534263 1.192826 -0.417326
H 0.677797 3.027538 -0.042501
H 2.663902 -0.817930 -0.346878
H -3.004808 -2.727199 -1.146988
H 2.874027 4.145490 0.302559
H 4.874168 0.311799 -0.019249
H 6.225411 2.284936 0.312678
H 5.561846 3.796488 -0.365284
H 5.441229 3.478526 1.381360
H -5.579427 1.103842 1.591569
H -3.990269 1.952143 1.779849
H -5.865960 3.599013 1.228247
H -4.613628 3.567405 -0.047192
H -6.175892 2.714691 -0.295453
H 2.733124 -2.869181 1.156221
H 3.227087 -3.192285 -0.547537
H 3.559252 -4.424363 0.733193


