%chk=000251548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251548

0 1
S -2.779879 -1.315576 -0.192940
O -0.608501 -2.183726 0.187918
O 0.244302 2.351508 0.372214
N -0.523194 0.125460 0.262173
N -2.658449 1.307858 -0.098982
C 1.575810 -1.009715 0.480072
C 1.724943 0.458231 0.965680
C 2.233101 -1.332749 -0.873944
C 3.004643 1.188462 0.554202
C 3.607168 -0.676629 -1.022215
C 3.486226 0.841168 -0.855872
C 0.068506 -1.190055 0.308723
C 0.454207 1.183947 0.497254
C -1.898992 0.238012 0.007783
C -4.245695 -0.401370 -0.439308
C -4.000015 0.935902 -0.356125
H 1.967972 -1.707097 1.256487
H 1.681853 0.459799 2.089366
H 1.582007 -0.996762 -1.709013
H 2.316326 -2.432849 -0.984314
H 3.803648 0.946949 1.285196
H 2.841068 2.285765 0.635814
H 4.032147 -0.920648 -2.015419
H 4.316181 -1.089710 -0.279058
H 4.461525 1.328198 -1.049148
H 2.788901 1.255552 -1.611182
H -5.182072 -0.895405 -0.625945
H -4.715036 1.746682 -0.464818


%chk=000251548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251548

0 1
S -2.933896 -1.368089 -0.584445
O -0.435440 -2.430717 0.420333
O 0.157600 2.221521 -0.023823
N -0.546392 -0.062228 0.260598
N -2.610161 1.181639 0.204939
C 1.627623 -1.025132 0.538487
C 1.689897 0.480817 0.915948
C 2.277501 -1.342165 -0.848414
C 2.969386 1.250872 0.526973
C 3.652705 -0.660149 -1.008237
C 3.508213 0.872471 -0.870850
C 0.131575 -1.314219 0.440792
C 0.393933 1.053931 0.322963
C -1.927693 0.064010 0.030424
C -4.326190 -0.234043 -0.586109
C -3.955891 1.023212 -0.141523
H 2.083551 -1.669410 1.309050
H 1.553438 0.563937 2.015664
H 1.612476 -0.981606 -1.659652
H 2.350038 -2.438856 -0.958714
H 3.749186 1.032687 1.282801
H 2.756181 2.334516 0.580682
H 4.077383 -0.922158 -1.995542
H 4.358504 -1.040316 -0.241287
H 4.481952 1.370760 -1.034358
H 2.820909 1.248373 -1.655167
H -5.312730 -0.585816 -0.879804
H -4.624959 1.877359 -0.037130


