%chk=000251586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251586

0 1
S 6.850079 1.600200 -0.558082
S 6.986597 -1.932973 0.973995
O 5.215605 1.682806 -0.130633
O 5.567668 -2.302884 0.135857
O 7.012885 2.571586 -1.612350
O 7.152104 0.222341 -0.909858
O 7.047363 -2.883536 2.057380
O 6.927701 -0.531234 1.358799
O -8.848982 0.776625 0.906135
O -10.913253 0.507243 0.211395
N 3.046765 -0.544409 -0.280644
N -3.326923 0.141346 0.611347
C 3.935334 -0.005806 -1.338097
C 3.758317 -0.891965 0.977898
C 1.676679 -0.254459 -0.280986
C 4.242173 1.490830 -1.165830
C 4.334454 -2.312942 0.869384
C 0.861566 -0.599405 0.829728
C 1.054449 0.308855 -1.428762
C -1.126355 0.151342 -0.356234
C -0.510272 -0.399515 0.785043
C -0.319771 0.498582 -1.456673
C -2.576548 0.371301 -0.425468
C 7.550152 2.138792 0.914592
C 8.136824 -2.293141 -0.250151
C -4.741469 0.320700 0.567496
C -6.954828 -0.081781 -0.353151
C -5.549268 -0.210519 -0.436051
C -7.499904 0.597402 0.752286
C -5.321978 0.991442 1.686684
C -6.689884 1.138194 1.779478
C -7.865152 -0.614286 -1.345255
C -9.197235 -0.446546 -1.203667
C -9.771963 0.262819 -0.069528
H 4.888680 -0.602565 -1.322833
H 3.476294 -0.191276 -2.335766
H 4.578714 -0.149899 1.172512
H 3.074503 -0.829487 1.855925
H 4.587262 1.958134 -2.108098
H 3.365972 2.056469 -0.784576
H 4.488211 -2.776688 1.862356
H 3.691854 -2.975450 0.251186
H 1.311094 -1.027004 1.724349
H 1.646057 0.582278 -2.297499
H -1.129161 -0.670512 1.646877
H -0.777638 0.928794 -2.349129
H -2.942717 0.744682 -1.398790
H 6.947037 2.903363 1.433411
H 8.555254 2.569577 0.808467
H 7.644681 1.314434 1.665537
H 8.259933 -1.450961 -0.976161
H 9.143712 -2.519564 0.126440
H 7.850303 -3.150874 -0.882093
H -5.111467 -0.742291 -1.279425
H -4.661717 1.381471 2.465805
H -7.165495 1.649271 2.617152
H -7.441619 -1.149466 -2.199053
H -9.923576 -0.829842 -1.923269


%chk=000251586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251586

0 1
S 7.210606 1.715587 -1.075831
S 6.875167 -2.356141 1.090201
O 5.500123 2.002701 -0.358272
O 5.149151 -2.370283 0.357191
O 7.549403 2.909509 -2.109210
O 7.333324 0.184881 -1.615275
O 7.010381 -3.583445 2.130795
O 7.235149 -0.861883 1.624052
O -9.039900 0.214753 0.773169
O -11.087005 0.009591 -0.276784
N 3.109826 -0.017630 -0.026738
N -3.394076 0.059003 0.862851
C 3.919555 0.268723 -1.225135
C 3.832927 -0.413939 1.196368
C 1.713928 0.095629 -0.047951
C 4.405238 1.729257 -1.326847
C 4.097761 -1.928811 1.312409
C 0.907511 -0.386362 1.040992
C 1.028029 0.694734 -1.156149
C -1.163481 0.324519 -0.085478
C -0.486342 -0.270625 1.018523
C -0.370672 0.799236 -1.166755
C -2.617921 0.450481 -0.125439
C 8.095004 1.931079 0.583190
C 7.727902 -2.719455 -0.560564
C -4.804432 0.105735 0.752799
C -6.937104 -0.153042 -0.462922
C -5.516629 -0.177873 -0.439392
C -7.641466 0.170040 0.735346
C -5.547408 0.390348 1.943236
C -6.949163 0.437604 1.937129
C -7.723975 -0.446840 -1.643969
C -9.099897 -0.402071 -1.616829
C -9.850279 -0.063580 -0.406927
H 4.799085 -0.396746 -1.224779
H 3.337055 0.017328 -2.130001
H 4.798143 0.119193 1.223228
H 3.266265 -0.078394 2.083597
H 4.742562 1.969183 -2.355779
H 3.616962 2.447440 -1.039114
H 4.385843 -2.206138 2.346836
H 3.214421 -2.525113 1.022207
H 1.374702 -0.873303 1.901907
H 1.586712 1.100133 -2.004062
H -1.090596 -0.646652 1.850741
H -0.862738 1.270493 -2.027524
H -3.035274 0.925957 -1.040525
H 7.724200 2.878968 0.994347
H 9.167380 1.961862 0.344709
H 7.808439 1.046593 1.173626
H 7.599201 -1.801693 -1.155576
H 8.777485 -2.929380 -0.311256
H 7.207359 -3.592860 -0.974352
H -4.975206 -0.457477 -1.351203
H -4.984661 0.576456 2.862969
H -7.520153 0.666914 2.841097
H -7.203078 -0.706403 -2.573395
H -9.706241 -0.618188 -2.500086


