%chk=000272449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272449

0 1
S -0.546296 -1.871187 -1.362207
O -1.825723 -0.882784 -0.768464
O -3.720686 1.961220 0.506358
O 0.528207 -0.925190 -1.565561
O -1.111737 -2.560194 -2.489029
O -2.068957 1.178586 1.857612
O 3.791376 0.738207 0.293465
O 1.781305 0.478370 1.024647
O 3.294718 4.672187 -4.412906
O 4.868695 3.795782 -3.214004
N -0.246587 1.533140 -0.247205
N 2.595946 0.962266 0.233067
N 3.694356 3.973289 -3.493933
C -1.687075 1.538867 -0.564515
C -2.110765 0.329678 -1.444399
C 0.708943 2.056628 -1.072690
C -2.450819 1.504788 0.765969
C -0.309048 -2.879876 -0.020468
C 2.109353 1.852775 -0.807360
C 0.350211 2.892172 -2.187194
C 3.076329 2.479524 -1.616998
C -0.979573 -4.110974 0.057483
C 0.552965 -2.491328 1.017604
C 2.687591 3.305871 -2.666103
C 1.307218 3.499580 -2.957275
C 0.069739 -4.556159 2.199094
C -0.792775 -4.944537 1.156409
C 0.741940 -3.322997 2.118087
C 0.276961 -5.437083 3.382427
C -4.653024 1.970484 1.624240
H -1.969616 2.487667 -1.110102
H -3.215873 0.330485 -1.574760
H -1.618080 0.380785 -2.434484
H 0.034100 0.888076 0.529396
H -0.704035 3.043128 -2.418517
H 4.149906 2.309123 -1.412681
H -1.649559 -4.422296 -0.753115
H 1.090507 -1.531141 0.967808
H 1.036317 4.142104 -3.806385
H -1.315447 -5.898530 1.208650
H 1.413201 -3.012284 2.919654
H 1.337245 -5.713969 3.496202
H -0.018806 -4.930960 4.315329
H -0.294218 -6.374081 3.332199
H -5.503585 2.529025 1.218126
H -4.203165 2.475425 2.485794
H -4.919677 0.937837 1.870636


%chk=000272449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272449

0 1
S -0.573350 -1.774473 -1.518165
O -1.974878 -0.687483 -0.813395
O -3.827320 1.775841 0.627779
O 0.684379 -0.781123 -1.774279
O -1.171567 -2.636645 -2.746533
O -1.955797 1.269628 1.927544
O 3.804487 0.899267 0.528976
O 1.654116 0.725107 1.246193
O 3.432257 4.291007 -4.719375
O 5.038526 3.421086 -3.345285
N -0.288695 1.749216 -0.188613
N 2.550947 1.154813 0.386234
N 3.805062 3.642231 -3.661872
C -1.715560 1.750639 -0.489827
C -2.122745 0.611492 -1.478872
C 0.697300 2.173061 -1.033806
C -2.474229 1.570698 0.833277
C -0.332293 -2.858850 -0.015820
C 2.102491 1.935586 -0.762848
C 0.393136 2.894733 -2.241465
C 3.111997 2.416509 -1.621314
C -0.928170 -4.129418 -0.045474
C 0.438859 -2.371940 1.053622
C 2.753486 3.132282 -2.768724
C 1.388811 3.370217 -3.088313
C 0.042805 -4.532298 2.186773
C -0.727134 -4.965076 1.075326
C 0.619956 -3.232913 2.155957
C 0.256567 -5.434682 3.386750
C -4.702427 1.556568 1.810352
H -2.043320 2.711461 -0.932221
H -3.186183 0.715473 -1.756982
H -1.492752 0.676203 -2.387798
H 0.022838 1.269728 0.675462
H -0.650932 3.087713 -2.500093
H 4.161778 2.217121 -1.392009
H -1.510986 -4.456024 -0.912296
H 0.894571 -1.376124 1.041153
H 1.147803 3.926207 -3.998141
H -1.174645 -5.964875 1.082308
H 1.218907 -2.883700 3.004401
H 1.332395 -5.634109 3.546577
H -0.124766 -4.962908 4.311289
H -0.253355 -6.404749 3.265367
H -5.719353 1.750852 1.444308
H -4.426055 2.255014 2.617167
H -4.594960 0.519137 2.166606


