%chk=000271564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271564

0 1
S -3.815816 -2.904469 -0.516333
O -0.212566 -0.539021 -0.038957
O 0.856347 -2.594355 0.257072
N 2.062898 -0.631698 -0.172242
N -1.399930 -1.273470 -0.181511
C 3.372837 -1.209009 0.070443
C 1.993214 0.764222 -0.567794
C -2.480529 0.927944 0.288991
C -2.463048 -0.528393 -0.031797
C 4.376809 -0.403166 0.638489
C 2.813275 1.205773 -1.621997
C 3.632362 -2.548393 -0.264216
C 1.125709 1.651497 0.088038
C 0.906290 -1.416254 0.032481
C -3.747466 -1.193001 -0.199216
C 5.644101 -0.946115 0.855142
C 2.753858 2.543658 -2.014260
C 4.905444 -3.073334 -0.032101
C 1.072484 2.984293 -0.327644
C -2.476287 1.342906 1.627562
C -2.494197 1.869462 -0.748775
C 5.913310 -2.277705 0.521370
C 1.885842 3.434052 -1.371839
C -5.011609 -0.665890 -0.145030
C -2.486609 2.708439 1.925236
C -2.504779 3.232995 -0.441323
C -2.501131 3.652660 0.893107
C -6.037135 -1.651047 -0.362031
C -5.545185 -2.906773 -0.576773
H 4.171741 0.631460 0.910336
H 3.483362 0.510924 -2.127554
H 2.845390 -3.181206 -0.682710
H 0.482425 1.306174 0.901211
H 6.426271 -0.326433 1.292929
H 3.385225 2.893448 -2.830748
H 5.109860 -4.113573 -0.286293
H 0.387700 3.672267 0.169439
H -2.464858 0.604203 2.428957
H -2.490254 1.538734 -1.787392
H 6.902898 -2.694249 0.696273
H 1.843239 4.474410 -1.687180
H -5.238992 0.376263 0.040059
H -2.484328 3.036289 2.963976
H -2.515575 3.968502 -1.244606
H -2.512468 4.715622 1.129161
H -7.087109 -1.391381 -0.349933
H -6.098820 -3.812062 -0.762317


%chk=000271564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271564

0 1
S -3.826835 -2.733098 -1.381098
O -0.215679 -0.507679 -0.059083
O 0.798678 -2.547107 0.585053
N 2.076039 -0.643174 -0.048966
N -1.441362 -1.288877 -0.311170
C 3.390528 -1.176563 0.251338
C 1.999012 0.698902 -0.621660
C -2.513706 0.894138 0.360865
C -2.510823 -0.510310 -0.162400
C 4.469218 -0.264639 0.413966
C 2.393368 0.889458 -1.965176
C 3.636175 -2.571475 0.370970
C 1.576026 1.793938 0.163600
C 0.903813 -1.371368 0.187385
C -3.782873 -1.128260 -0.534600
C 5.767449 -0.740278 0.690785
C 2.355800 2.184369 -2.527947
C 4.941354 -3.029776 0.652681
C 1.533018 3.085558 -0.405561
C -1.999962 1.171166 1.654517
C -3.045033 1.953252 -0.417894
C 6.015497 -2.126212 0.813008
C 1.924832 3.284712 -1.750093
C -5.076718 -0.655673 -0.299875
C -2.022743 2.487930 2.160936
C -3.051788 3.273601 0.084976
C -2.544607 3.544277 1.376492
C -6.110718 -1.533468 -0.775754
C -5.616488 -2.682160 -1.378042
H 4.295241 0.811487 0.327673
H 2.723220 0.028775 -2.556236
H 2.815523 -3.280917 0.262650
H 1.266756 1.629294 1.200417
H 6.584470 -0.020726 0.815112
H 2.657112 2.331956 -3.570763
H 5.114098 -4.108147 0.742759
H 1.189113 3.931872 0.198932
H -1.595860 0.353479 2.260334
H -3.434745 1.744755 -1.420290
H 7.024442 -2.493372 1.029179
H 1.892211 4.288034 -2.188952
H -5.270993 0.288501 0.213441
H -1.638541 2.689235 3.167152
H -3.454131 4.086527 -0.529423
H -2.560101 4.566574 1.770793
H -7.177447 -1.322020 -0.672994
H -6.167640 -3.511291 -1.819338


