%chk=000191312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191312

0 1
S -3.841017 -1.870623 1.529698
O 0.168223 -0.214757 -0.721263
O -0.125697 3.393747 1.245180
O 3.605494 -2.036956 0.648195
O 3.010001 3.612744 0.709649
O -3.708991 2.348575 -1.157186
O 4.094133 1.951157 1.745834
O 4.377690 -2.080085 -1.478219
N 1.089701 1.978933 -0.294374
N -2.072419 1.181542 -0.073616
C 0.234022 1.131233 -1.195004
C -1.012486 1.944055 -0.699557
C -0.047200 2.636946 0.337850
C 2.237036 1.396750 0.302688
C 2.459797 0.064130 0.177580
C 1.466571 -0.823271 -0.522256
C 3.706355 -0.589878 0.693172
C -3.413911 1.446025 -0.397761
C 3.197622 2.296688 1.002711
C -4.440272 0.581946 0.319053
C -4.214146 -0.864018 0.145005
C 4.032847 -2.692007 -0.497834
C -4.255928 -1.624119 -0.984963
C -3.984361 -3.024566 -0.742671
C -3.740575 -3.316761 0.562211
C 3.955749 -4.156169 -0.259998
H 0.512414 1.162508 -2.259326
H -1.414351 2.667830 -1.455978
H 1.198510 -1.707947 0.096283
H 1.856794 -1.145827 -1.510404
H -1.790638 0.337072 0.430466
H 4.606458 -0.258402 0.132491
H 3.859000 -0.401363 1.782253
H -5.451554 0.859091 -0.079073
H -4.478996 0.883331 1.392296
H 3.647716 4.202302 1.210040
H -4.467141 -1.249707 -1.978459
H -3.985118 -3.744530 -1.551326
H -3.517536 -4.269820 1.009021
H 3.514180 -4.405467 0.719364
H 4.962435 -4.607363 -0.290058
H 3.358788 -4.654171 -1.040715


%chk=000191312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191312

0 1
S -4.946934 -0.087550 1.744758
O 0.129893 -0.541693 -0.759877
O -0.497757 2.771199 1.587715
O 3.902672 -2.336529 0.066413
O 2.666060 3.093512 1.530327
O -3.405906 2.435956 -2.015534
O 3.847920 1.269208 2.364070
O 4.857311 -0.981321 -1.576046
N 0.989580 1.540922 0.072138
N -2.206021 1.000829 -0.626232
C 0.322074 0.876284 -1.068315
C -0.966695 1.716915 -0.768575
C -0.213653 2.172794 0.544854
C 2.115801 0.936445 0.683856
C 2.394247 -0.375651 0.365332
C 1.445808 -1.175182 -0.529834
C 3.611897 -1.116614 0.879771
C -3.361145 1.414039 -1.270283
C 2.960291 1.737074 1.604350
C -4.608702 0.524973 -1.056743
C -4.533808 -0.511973 0.030527
C 4.589465 -2.123206 -1.144590
C -4.165817 -1.849994 -0.058564
C -4.198126 -2.558783 1.199225
C -4.593603 -1.766941 2.264600
C 4.943396 -3.444603 -1.786106
H 0.835333 1.004263 -2.037243
H -1.130649 2.547800 -1.476559
H 1.215486 -2.148243 -0.064384
H 1.933376 -1.371426 -1.508108
H -2.226083 0.141181 -0.070095
H 4.502051 -0.468529 0.912369
H 3.438748 -1.522831 1.890639
H -4.799769 0.026065 -2.026174
H -5.452500 1.221256 -0.905864
H 3.210100 3.590096 2.198987
H -3.886315 -2.318309 -1.006640
H -3.942078 -3.615572 1.305287
H -4.708539 -2.031478 3.314156
H 4.087008 -4.138107 -1.753226
H 5.769838 -3.916536 -1.224673
H 5.264945 -3.280937 -2.824712


