%chk=000250411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250411

0 1
S 2.501777 -2.883571 -1.501920
O -2.033477 -2.030595 -0.091856
O -0.328857 0.683301 -0.085981
O 1.513071 -2.775502 -0.112993
O -5.395319 -1.520537 -1.623185
O 1.802310 1.164714 -0.672941
O 1.842410 -1.998218 -2.439815
O 2.608796 -4.285291 -1.805739
O -6.687046 1.531953 1.524085
N -3.715044 -0.428389 -0.462455
N -6.044994 0.018302 -0.032686
C -0.343261 -0.522440 -0.921034
C -0.625549 -1.687795 0.049021
C -1.581046 -0.415407 -1.813016
C -2.666766 -1.260877 -1.130757
C 0.113283 -2.997380 -0.285663
C -3.370734 0.497799 0.539261
C -5.088214 -0.715724 -0.764395
C -4.309620 1.195433 1.228979
C 0.816611 1.453844 -0.034772
C -5.744066 0.992147 0.986916
C 0.609470 2.607455 0.871391
C -3.945019 2.198667 2.269912
C 3.952702 -2.245534 -0.887419
C 4.955644 -3.110796 -0.423274
C 4.153589 -0.858411 -0.841734
C 1.391667 3.756831 0.672273
C -0.328608 2.558060 1.912809
C 6.147447 -2.597289 0.080136
C 5.345741 -0.340836 -0.338126
C 6.351325 -1.204943 0.128965
C 1.225859 4.857736 1.514977
C -0.484983 3.662082 2.754139
C 0.289339 4.810362 2.554112
C 7.630407 -0.649968 0.656129
H 0.618994 -0.602227 -1.487007
H -0.487616 -1.394463 1.111482
H -1.883722 0.640567 -1.959569
H -1.362029 -0.801979 -2.829947
H -3.173582 -2.009587 -1.793470
H -0.151192 -3.786010 0.449793
H -0.138783 -3.359640 -1.299036
H -2.289302 0.629511 0.716153
H -7.036325 -0.171206 -0.243412
H -3.477394 1.721919 3.142259
H -3.257793 2.961597 1.879258
H -4.838367 2.732053 2.641474
H 4.803517 -4.196512 -0.462158
H 3.372614 -0.170569 -1.203921
H 2.124434 3.781383 -0.138006
H -0.928979 1.657398 2.060892
H 6.922447 -3.274078 0.436299
H 5.492932 0.738094 -0.306845
H 1.827242 5.753835 1.363158
H -1.209505 3.628256 3.567594
H 0.163132 5.671976 3.211226
H 7.483078 0.289882 1.207881
H 8.328243 -0.430054 -0.168187
H 8.147710 -1.341430 1.336043


%chk=000250411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250411

0 1
S 2.445154 -3.072093 -1.583077
O -1.976831 -1.844588 0.579932
O -0.324670 0.729708 0.366410
O 1.561723 -3.003258 0.090370
O -5.183581 -2.164843 -1.359850
O 1.860047 1.286904 -0.254068
O 1.604903 -2.071819 -2.555102
O 2.654130 -4.610602 -2.032528
O -7.147210 1.533507 0.711167
N -3.764468 -0.556888 -0.360954
N -6.108292 -0.291741 -0.306355
C -0.250679 -0.527876 -0.444231
C -0.503844 -1.716413 0.498100
C -1.436254 -0.575311 -1.428065
C -2.571288 -1.350292 -0.695185
C 0.089156 -3.046397 -0.022761
C -3.641830 0.635672 0.362308
C -5.032956 -1.088651 -0.719918
C -4.714888 1.400154 0.752791
C 0.818393 1.543811 0.399893
C -6.070790 0.937744 0.415605
C 0.637454 2.728552 1.283966
C -4.583131 2.691529 1.521704
C 4.076020 -2.336914 -1.040826
C 5.160873 -3.220630 -0.923531
C 4.150143 -0.956765 -0.790177
C 1.600197 3.769158 1.205600
C -0.444614 2.832516 2.196809
C 6.403625 -2.673839 -0.537507
C 5.407696 -0.444325 -0.404439
C 6.546282 -1.285381 -0.275365
C 1.473428 4.909797 2.023605
C -0.562443 3.972204 3.019355
C 0.391948 5.013652 2.931201
C 7.892511 -0.703984 0.112063
H 0.724788 -0.564607 -0.951030
H -0.139159 -1.519385 1.519152
H -1.748393 0.433310 -1.740190
H -1.124026 -1.126554 -2.330915
H -2.946880 -2.208830 -1.275583
H -0.262044 -3.883161 0.605008
H -0.226079 -3.230357 -1.069487
H -2.612762 0.920598 0.597475
H -7.037838 -0.644845 -0.555799
H -5.058784 2.606791 2.516169
H -3.525387 2.976184 1.654096
H -5.106575 3.510789 0.996888
H 5.037683 -4.287887 -1.132375
H 3.282843 -0.293974 -0.876894
H 2.431070 3.665852 0.500138
H -1.167015 2.014720 2.271340
H 7.270491 -3.336289 -0.437444
H 5.497451 0.627629 -0.196284
H 2.212413 5.715152 1.957086
H -1.392195 4.048398 3.730127
H 0.295473 5.899164 3.568999
H 7.786062 0.097881 0.863520
H 8.395135 -0.260599 -0.769157
H 8.566414 -1.474378 0.523519


