%chk=000217823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217823

0 1
S -3.163310 -0.819626 0.079874
S 3.518630 0.169072 0.015027
O -3.192557 -1.195258 1.724404
O 3.597040 0.545886 1.659705
O -4.327441 0.041423 -0.104707
O -3.178653 -2.104629 -0.574783
O 4.613544 -0.748779 -0.175307
O 3.508853 1.441471 -0.659236
N -2.897352 2.191602 -0.111857
N -0.563067 3.632911 -0.095906
C -0.466077 -0.654112 -0.060957
C 0.759887 0.069772 -0.055668
C -1.726073 0.052872 -0.038005
C 1.996252 -0.630748 -0.052922
C -1.751090 1.457659 -0.070535
C 0.710910 1.513469 -0.052813
C -0.468471 2.187348 -0.055655
C -0.394179 -2.078864 -0.100641
C 2.025842 -2.013708 -0.080870
C 0.816515 -2.739215 -0.113113
H 1.656541 2.082348 -0.066347
H -1.309222 -2.692253 -0.144464
H 2.976226 -2.562875 -0.084337
H 0.847780 -3.830112 -0.148694
H -2.853918 3.202238 -0.205328
H -3.842010 1.766309 -0.154070
H -0.506915 4.027529 0.844135
H 0.191699 4.040577 -0.649029
H -3.943490 -1.720883 2.032180
H 4.473207 0.485372 2.068818


%chk=000217823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217823

0 1
S -3.308110 -0.816758 -0.037673
S 3.667910 0.104150 -0.142385
O -3.287122 -1.386790 1.735045
O 3.683428 0.705552 1.623642
O -4.552714 0.222824 -0.219798
O -3.327831 -2.142470 -0.963960
O 4.812146 -1.024488 -0.325158
O 3.699670 1.419168 -1.090234
N -2.846330 2.301477 -0.066858
N -0.459168 3.606711 0.090563
C -0.468363 -0.684377 0.009413
C 0.782164 0.060999 -0.036963
C -1.681882 0.098547 -0.003928
C 1.977531 -0.719326 -0.058029
C -1.716979 1.514168 -0.008199
C 0.761213 1.489078 0.001337
C -0.428263 2.204758 0.044199
C -0.423642 -2.113434 0.058004
C 2.026162 -2.109742 -0.019327
C 0.790905 -2.807938 0.040034
H 1.708175 2.035762 0.018860
H -1.352873 -2.685019 0.093606
H 2.985948 -2.634543 -0.039587
H 0.792351 -3.901241 0.072964
H -2.740461 3.259591 -0.399402
H -3.769376 1.842962 -0.111836
H -1.154312 4.066043 0.680325
H 0.423501 4.104217 -0.020495
H -4.070296 -2.000866 1.855231
H 4.585718 1.107781 1.789508


