%chk=000193456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193456

0 1
S 4.476297 0.402740 -0.591541
O -0.484983 0.053729 1.966779
O -0.657530 -0.817035 -1.539748
O 1.385445 -1.651110 1.313845
O 3.693652 0.065959 0.845538
O -3.092027 -2.772181 -0.678173
O -4.477719 1.354007 0.568931
O 3.703904 -0.747701 -1.522184
O 5.822720 -0.032514 -0.450935
O 4.055622 1.681936 -1.046964
N -2.848456 0.630932 -0.842157
C -0.097042 0.010283 0.597955
C -1.048843 -0.947974 -0.161797
C 1.365730 -0.478654 0.477274
C -2.528469 -0.533640 0.002730
C 2.354272 0.565915 1.014311
C -3.492931 -1.672209 -0.377790
C -3.809598 1.566003 -0.427555
C -3.950396 2.765032 -1.317202
H -0.220254 1.059810 0.245697
H -0.905248 -2.005191 0.169715
H 1.609919 -0.794464 -0.569487
H -2.712775 -0.277699 1.095420
H 2.270018 0.675063 2.118516
H 2.235156 1.561125 0.544552
H -2.237331 0.773579 -1.646956
H -0.182224 -0.774588 2.431364
H -4.560031 -1.403064 -0.350031
H -0.958547 -1.611199 -2.041126
H 2.315733 -1.898861 1.523625
H -4.768116 3.409111 -0.950086
H -3.041542 3.381934 -1.332616
H -4.193570 2.498128 -2.354270
H 4.242867 -1.507800 -1.810932


%chk=000193456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193456

0 1
S 4.614400 0.022354 -0.510257
O -0.397705 0.147420 1.890164
O -0.734098 -0.817622 -1.696685
O 1.616547 -1.375787 1.087808
O 3.660466 0.663144 0.914192
O -2.971226 -2.582586 -1.433246
O -4.467493 1.209347 0.981852
O 4.101307 -1.742681 -0.143731
O 6.167894 0.195691 -0.189045
O 3.984090 0.453277 -1.926962
N -2.927172 0.653722 -0.662404
C -0.119991 0.125607 0.451947
C -1.032476 -0.898224 -0.251657
C 1.370549 -0.216321 0.227566
C -2.529367 -0.611908 -0.019478
C 2.235844 0.990915 0.643694
C -3.411293 -1.697773 -0.651262
C -3.872347 1.504060 -0.097307
C -4.127060 2.801187 -0.855823
H -0.347732 1.140464 0.079177
H -0.798726 -1.911009 0.133729
H 1.531353 -0.467053 -0.838827
H -2.757673 -0.520597 1.059642
H 1.929221 1.346617 1.647175
H 2.166062 1.810503 -0.095283
H -2.476543 0.859122 -1.559404
H 0.111173 -0.620688 2.274549
H -4.499193 -1.615926 -0.424410
H -1.157842 -1.619407 -2.109190
H 2.515063 -1.751966 0.870934
H -5.204177 2.884699 -1.079454
H -3.863114 3.652629 -0.204758
H -3.556506 2.880940 -1.796768
H 4.511465 -2.362747 -0.811777


