%chk=000225985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225985

0 1
S 2.865644 -0.934617 0.855676
S -2.860795 -0.961889 0.838836
O -0.010884 0.418536 2.737287
N 1.187238 1.220566 0.928721
N -1.203959 1.209857 0.920465
N 3.937048 -1.816806 -1.393324
N -3.908527 -1.857408 -1.415999
N 3.143576 0.490481 -1.374646
N -3.136123 0.456982 -1.395778
C 2.448576 0.761795 1.476966
C -2.464640 0.739439 1.460432
C -0.009035 0.862519 1.598436
C 3.385098 -0.653602 -0.832998
C -3.370997 -0.688396 -0.853915
H 2.402397 0.653221 2.590195
H 3.264698 1.464554 1.194670
H -2.425298 0.632942 2.574088
H -3.285500 1.433823 1.171231
H 1.193513 1.429250 -0.075293
H -1.205194 1.416105 -0.084102
H 4.485672 -1.734592 -2.236019
H 4.232404 -2.571601 -0.789995
H -4.200809 -2.614121 -0.813637
H -4.451406 -1.781878 -2.262975
H 3.417711 0.682731 -2.332999
H -3.405309 0.645208 -2.356322


%chk=000225985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225985

0 1
S 3.122308 -0.960270 1.019776
S -3.110605 -1.001441 0.995178
O -0.009101 0.630896 2.936298
N 1.162986 1.092289 0.953497
N -1.178423 1.076814 0.948392
N 3.982542 -1.630577 -1.438720
N -3.957507 -1.665189 -1.469800
N 2.586453 0.353870 -1.337833
N -2.580501 0.331675 -1.353062
C 2.440755 0.810343 1.513472
C -2.454540 0.775227 1.501775
C -0.008112 0.896070 1.694311
C 3.219579 -0.663156 -0.794835
C -3.205568 -0.694491 -0.817980
H 2.393962 0.781161 2.611361
H 3.210318 1.494787 1.131865
H -2.411412 0.740756 2.599670
H -3.231738 1.451490 1.121011
H 1.182080 1.128912 -0.081081
H -1.193533 1.116915 -0.086196
H 3.996976 -1.686164 -2.455655
H 4.512835 -2.316744 -0.904449
H -4.484109 -2.358440 -0.941055
H -3.967972 -1.715323 -2.487072
H 2.741386 0.465396 -2.357496
H -2.733958 0.448290 -2.372371


