%chk=000299108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299108

0 1
S 1.291486 1.298415 0.478489
O 3.195573 -2.138321 -0.146974
O 1.790967 2.064522 -0.623936
O 1.403793 1.791720 1.831454
O 1.586503 -1.260164 -1.490373
O -4.673487 -0.718477 -1.660663
O -5.131481 -0.370734 0.426831
N 2.178454 -0.202268 0.522471
N -4.373514 -0.390956 -0.527039
C 3.164615 -0.488355 1.603378
C 3.831585 -1.795744 1.130553
C -0.335270 0.785951 0.175454
C 2.249219 -1.189254 -0.487484
C -0.717614 0.363937 -1.099717
C -1.262882 0.827846 1.224115
C -2.042539 -0.024615 -1.338218
C -2.586241 0.444063 1.000863
C -2.958058 0.021568 -0.283274
H 2.643420 -0.601986 2.579303
H 3.893943 0.343884 1.711852
H 4.905322 -1.698727 0.901175
H 3.645290 -2.661634 1.786003
H 0.014158 0.316202 -1.922332
H -0.956131 1.166828 2.223145
H -2.357382 -0.362564 -2.333252
H -3.327528 0.469366 1.807875


%chk=000299108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299108

0 1
S 1.333123 1.306072 0.433386
O 3.424712 -2.104950 -0.153794
O 1.881236 2.117915 -0.851568
O 1.431437 1.925883 1.929704
O 1.772299 -1.193020 -1.557002
O -4.830042 -0.653654 -1.723422
O -5.247171 -0.424797 0.508212
N 2.234131 -0.324955 0.621183
N -4.467465 -0.380236 -0.517720
C 3.345722 -0.429595 1.597643
C 3.825089 -1.870571 1.272449
C -0.443448 0.737997 0.123377
C 2.401022 -1.187591 -0.486952
C -0.831027 0.440628 -1.193014
C -1.294537 0.698383 1.239835
C -2.175613 0.068237 -1.402091
C -2.636653 0.324814 1.023433
C -3.046253 0.015233 -0.291893
H 2.985207 -0.324526 2.631255
H 4.129678 0.326013 1.403782
H 4.915494 -1.994833 1.330675
H 3.310180 -2.625120 1.890125
H -0.113202 0.485171 -2.015745
H -0.923661 0.968047 2.233428
H -2.549380 -0.183128 -2.397449
H -3.358676 0.273083 1.841860


