%chk=000269015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269015

0 1
S 0.618933 -1.308145 1.549158
O 5.744765 3.249708 1.219352
O 5.436685 2.669942 -0.925392
O 3.118544 0.008575 2.352883
O 8.245349 -1.348791 -2.278182
O 9.153893 -0.510885 -0.411694
O -7.593076 -1.720079 0.878344
N 4.009152 0.407061 0.292507
N -1.613363 -2.383787 0.443780
N -4.870044 -1.473701 -0.025267
N -6.170674 1.979563 -0.205788
N -4.019720 1.130250 -0.763276
N -7.929196 0.527940 0.620091
N -8.383549 2.813755 0.197673
C 5.248684 0.957960 0.861627
C 6.481256 0.074833 0.600320
C 6.758583 -0.183514 -0.881396
C 5.467288 2.341323 0.237463
C 2.977768 -0.043747 1.140489
C 1.781758 -0.559906 0.490810
C -2.693741 -2.433537 -0.566409
C -0.468762 -1.658301 0.206921
C 1.340977 -0.574483 -0.808028
C -3.617966 -1.239400 -0.472512
C 8.165336 -0.656496 -1.089083
C 0.067519 -1.188444 -0.981574
C -5.722468 -0.426476 0.061738
C -5.296925 0.885363 -0.307306
C -3.191565 0.073067 -0.840092
C -7.137133 -0.660169 0.551947
C -7.505987 1.717889 0.243778
H 5.114870 1.073372 1.986289
H 6.342046 -0.892356 1.131944
H 7.373057 0.542285 1.079757
H 6.042154 -0.924007 -1.301399
H 6.602353 0.741761 -1.492735
H 3.956830 0.334048 -0.717960
H -3.270908 -3.382200 -0.397528
H -2.266847 -2.511847 -1.593833
H -1.932872 -2.487811 1.409627
H 1.887112 -0.158652 -1.648051
H -0.390834 -1.294320 -1.950996
H -2.166485 0.268674 -1.193343
H -5.864784 2.892982 -0.549103
H 5.905960 4.169867 0.869735
H 9.166137 -1.668387 -2.476823
H -9.315975 2.634546 0.575787
H -8.025234 3.728577 0.437251


%chk=000269015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269015

0 1
S 1.114271 -1.575965 1.844949
O 6.696591 3.263318 0.029984
O 4.789189 2.969024 -1.259944
O 3.858482 -0.388540 2.188943
O 7.773750 -1.760174 -2.458106
O 8.431587 -1.691134 -0.232372
O -7.089145 -1.476821 -2.133277
N 3.989502 0.816075 0.202265
N -1.431783 -2.356333 1.067587
N -4.671959 -1.425538 -0.552809
N -6.326518 1.735134 0.334997
N -4.276918 0.860659 1.101849
N -7.734103 0.599463 -1.264161
N -8.372806 2.667672 -0.397276
C 5.305892 1.360437 0.547473
C 6.466511 0.328546 0.398563
C 6.589551 -0.232024 -1.028183
C 5.531970 2.591040 -0.323208
C 3.319416 -0.020573 1.088694
C 1.972084 -0.454713 0.693987
C -2.588146 -2.473072 0.179311
C -0.316937 -1.606895 0.733853
C 1.171568 -0.177042 -0.411406
C -3.567637 -1.301638 0.238354
C 7.681703 -1.276515 -1.141883
C -0.112855 -0.809304 -0.402027
C -5.594525 -0.423976 -0.527863
C -5.377233 0.713219 0.311585
C -3.372403 -0.156717 1.059823
C -6.846799 -0.501425 -1.376667
C -7.473615 1.627482 -0.463812
H 5.302231 1.675082 1.610159
H 6.264526 -0.486887 1.113049
H 7.408882 0.812430 0.708279
H 5.637856 -0.696535 -1.350442
H 6.806855 0.559477 -1.772555
H 3.536045 1.198868 -0.631805
H -3.143613 -3.393617 0.432594
H -2.256125 -2.600084 -0.870039
H -1.415926 -2.917469 1.917660
H 1.485460 0.477222 -1.230976
H -0.851583 -0.677612 -1.194915
H -2.483002 -0.052501 1.685595
H -6.133621 2.534105 0.945932
H 6.820067 4.056354 -0.558942
H 8.493856 -2.446605 -2.502769
H -9.202158 2.581597 -0.981183
H -8.249535 3.486405 0.192637


