%chk=000286033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286033

0 1
S 0.025400 2.701189 0.901421
O -0.110210 3.597949 -0.234139
O 0.092438 3.261461 2.249366
O -3.103596 -2.448338 -0.538384
O 5.086249 0.915553 -2.070426
O -1.644258 -1.444940 -1.766076
O 3.228121 1.442408 -3.030278
N -4.987559 -0.344129 0.629386
N 4.300118 -1.229742 0.014761
N -2.448042 -1.457307 -0.841958
N 3.870664 1.066861 -2.061212
C -6.007167 -0.280889 1.724625
C -5.520423 -1.066262 -0.564173
C 4.997012 -1.923277 1.144495
C 4.721072 -1.789929 -1.303941
C -6.434467 -1.696570 2.142896
C -5.951128 -2.494894 -0.201983
C 6.520878 -1.782863 1.001754
C 6.237915 -1.662629 -1.503701
C -6.967871 -2.492410 0.944641
C 7.003898 -2.321426 -0.351235
C -3.688119 0.028467 0.832920
C 3.584911 -0.078945 0.210450
C -2.584616 -0.258150 -0.042629
C 3.151638 0.823373 -0.820243
C -1.301146 1.586799 0.904919
C 1.417807 1.718231 0.638359
C -3.400074 0.925743 1.931005
C 3.067792 0.183951 1.534686
C -1.462465 0.613811 -0.052604
C 2.023268 1.648251 -0.600521
C -2.261712 1.687315 1.946911
C 2.013886 1.039230 1.729604
H -6.880297 0.297715 1.343773
H -5.614590 0.280333 2.604317
H -4.791993 -1.068421 -1.398907
H -6.397191 -0.478121 -0.929163
H 4.696502 -2.996115 1.121794
H 4.661981 -1.519730 2.127975
H 4.164484 -1.326346 -2.141825
H 4.419950 -2.865928 -1.304421
H -7.204447 -1.630956 2.935050
H -5.574589 -2.232526 2.593952
H -5.055225 -3.093817 0.079947
H -6.369810 -2.994400 -1.095920
H 7.021121 -2.318737 1.830511
H 6.812667 -0.717463 1.104548
H 6.515924 -0.586464 -1.583072
H 6.524708 -2.112561 -2.472810
H -7.930359 -2.066302 0.601834
H -7.189447 -3.532866 1.252291
H 6.882071 -3.420934 -0.389738
H 8.089043 -2.132048 -0.465664
H -4.125303 1.016858 2.741368
H 3.517753 -0.327303 2.387057
H -0.706692 0.454015 -0.838592
H 1.651011 2.261275 -1.442986
H -2.075215 2.391980 2.771734
H 1.622528 1.210470 2.740953


%chk=000286033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286033

0 1
S -0.001830 2.623369 0.558509
O -0.101428 3.443493 -0.852689
O 0.060611 3.339317 2.033709
O -4.322013 -1.431690 -1.827444
O 5.049337 0.135887 -2.383341
O -3.217743 0.247340 -2.898306
O 2.953291 0.404379 -3.233191
N -5.106807 -0.715600 0.852331
N 4.995082 -0.896823 0.322097
N -3.638603 -0.329312 -1.817658
N 3.770535 0.288162 -2.235160
C -5.506301 -1.409766 2.101842
C -6.257132 -0.397441 -0.038847
C 5.917151 -0.970841 1.482731
C 5.106586 -2.064848 -0.593629
C -6.320107 -2.685831 1.778074
C -7.073165 -1.651418 -0.403645
C 7.377638 -1.156667 1.006946
C 6.545152 -2.266224 -1.107723
C -7.536621 -2.376083 0.879326
C 7.526635 -2.382278 0.080427
C -3.877334 -0.082007 0.739221
C 3.907758 -0.034335 0.321058
C -3.243490 0.255704 -0.520278
C 3.217632 0.416682 -0.871315
C -1.491051 1.467336 0.619885
C 1.535298 1.537183 0.454639
C -3.178352 0.336602 1.927567
C 3.377973 0.447878 1.571712
C -2.087562 1.073329 -0.573359
C 2.020214 1.169327 -0.796789
C -2.008241 1.099929 1.879769
C 2.217886 1.223699 1.648103
H -6.115365 -0.730869 2.741333
H -4.602140 -1.694046 2.664341
H -5.908065 0.121927 -0.940329
H -6.910969 0.313521 0.517503
H 5.629299 -1.816277 2.148208
H 5.848732 -0.036520 2.062549
H 4.400954 -1.963750 -1.428144
H 4.799299 -2.964178 -0.010951
H -6.641267 -3.146054 2.732043
H -5.656483 -3.407346 1.264613
H -6.444698 -2.317959 -1.019091
H -7.942796 -1.345613 -1.015013
H 8.024785 -1.255829 1.899320
H 7.691591 -0.243752 0.465996
H 6.815810 -1.410365 -1.749555
H 6.576165 -3.179942 -1.730582
H -8.253913 -1.734847 1.433206
H -8.070003 -3.310330 0.625016
H 7.314171 -3.309481 0.652795
H 8.567047 -2.460634 -0.284710
H -3.620013 0.123527 2.903881
H 3.863254 0.148445 2.503435
H -1.682407 1.362561 -1.548311
H 1.539606 1.503698 -1.721705
H -1.532834 1.470586 2.794095
H 1.834038 1.584575 2.608190


