%chk=000299183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299183

0 1
S -3.218512 -0.000584 -1.912890
S 3.216805 -0.000975 1.912975
O -2.687108 -0.000972 0.696745
O 2.685317 -0.000697 -0.696606
N -4.884943 0.000374 0.217310
N 4.883173 0.000493 -0.217309
C -0.690944 -1.246820 0.144207
C 0.689227 -1.246754 -0.144348
C -0.690965 1.245179 0.144599
C 0.689197 1.245228 -0.143975
C -1.326689 -0.000850 0.275825
C 1.324952 -0.000738 -0.275614
C -1.457254 -2.515624 0.303504
C 1.455626 -2.515465 -0.303917
C -1.457289 2.513926 0.304305
C 1.455570 2.514006 -0.303165
C -3.632462 -0.000457 -0.303576
C 3.630731 -0.000482 0.303661
C -5.140007 0.000258 1.676343
C -6.085073 0.000228 -0.648760
C 5.138164 0.000735 -1.676357
C 6.083342 0.000255 0.648710
H -2.425678 -2.353422 0.798081
H -1.667962 -2.965096 -0.680266
H -0.907372 -3.254201 0.902204
H 0.905527 -3.254248 -0.902152
H 2.423717 -2.353168 -0.799116
H 1.667009 -2.964720 0.679811
H -0.907400 3.252314 0.903236
H -1.667997 2.963717 -0.679320
H -2.425707 2.351581 0.798838
H 1.667039 2.962912 0.680705
H 2.423612 2.351911 -0.798521
H 0.905404 3.253000 -0.901078
H -5.714028 0.895566 1.970087
H -4.191467 0.003660 2.249496
H -5.708200 -0.898454 1.971068
H -5.815675 -0.001001 -1.726218
H -6.694601 0.900282 -0.460553
H -6.695793 -0.898627 -0.458754
H 5.707058 -0.897492 -1.971203
H 5.711450 0.896534 -1.970045
H 4.189593 0.003433 -2.249475
H 6.693130 0.900067 0.460197
H 6.693790 -0.898836 0.458935
H 5.813990 -0.000578 1.726177


%chk=000299183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299183

0 1
S -3.390174 0.000013 -2.047157
S 3.388452 -0.000585 2.047300
O -2.738010 -0.000749 0.625581
O 2.736252 -0.000366 -0.625426
N -4.978106 0.000214 0.212147
N 4.976355 0.000339 -0.212022
C -0.699580 -1.250480 0.134010
C 0.697922 -1.250390 -0.134196
C -0.699665 1.249330 0.134370
C 0.697827 1.249416 -0.133858
C -1.349166 -0.000618 0.254697
C 1.347415 -0.000449 -0.254533
C -1.466873 -2.549940 0.273218
C 1.465349 -2.549736 -0.273710
C -1.467024 2.548711 0.273962
C 1.465140 2.548866 -0.273050
C -3.732822 0.000050 -0.371568
C 3.731080 0.000085 0.371706
C -5.195715 -0.000199 1.673030
C -6.199810 -0.000135 -0.607023
C 5.193954 0.000365 -1.672907
C 6.198067 -0.000306 0.607137
H -2.446996 -2.383530 0.746691
H -1.650773 -3.006289 -0.718792
H -0.907662 -3.284607 0.879107
H 0.905955 -3.284546 -0.879245
H 2.445206 -2.383191 -0.747694
H 1.649852 -3.005961 0.718248
H -0.907839 3.283229 0.880054
H -1.650967 3.005331 -0.717915
H -2.447138 2.382153 0.747401
H 1.649691 3.004813 0.719026
H 2.444978 2.382566 -0.747164
H 0.905637 3.283807 -0.878326
H -5.775892 0.895563 1.967138
H -4.233544 0.003214 2.198999
H -5.769777 -0.899666 1.967962
H -5.919409 -0.001126 -1.671179
H -6.805420 0.899887 -0.387253
H -6.805925 -0.899423 -0.385641
H 5.768609 -0.898673 -1.967982
H 5.773536 0.896560 -1.966879
H 4.231778 0.003246 -2.198870
H 6.803993 0.899450 0.387156
H 6.803862 -0.899861 0.385955
H 5.917676 -0.000985 1.671296


