%chk=000257110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257110

0 1
S -3.424159 -1.564727 0.268195
S 2.371634 -2.647844 -0.581365
S 0.971318 2.010362 1.459535
O 0.987795 -3.143333 0.248081
O -0.672153 2.060803 1.069599
O -3.434534 -0.958236 1.589737
O -3.438611 -3.005357 0.137434
O 2.082018 -1.317421 -1.090024
O 2.651465 -3.707672 -1.513135
O 1.288116 0.600859 1.639414
O 1.138888 2.920793 2.557255
N -2.007175 -1.010676 -0.546974
C -0.891057 -1.965431 -0.721697
C -1.632128 0.408711 -0.368014
C -0.032503 -2.180007 0.539335
C -1.439862 0.848711 1.098570
C -4.697725 -0.865455 -0.670190
C -5.398544 0.239716 -0.175632
C -5.034988 -1.415781 -1.910188
C -6.432532 0.803113 -0.927957
C -6.069652 -0.852526 -2.664339
C 3.550286 -2.606921 0.663366
C 1.673158 2.632876 0.027463
C -6.765997 0.256613 -2.172877
C 4.534137 -3.604455 0.710366
C 1.847938 4.016926 -0.112995
C 3.525415 -1.599244 1.633117
C 2.066349 1.767094 -0.999007
C 5.495776 -3.589449 1.721933
C 2.409755 4.533593 -1.281400
C 4.488560 -1.585712 2.647544
C 2.629394 2.286221 -2.169307
C 5.471086 -2.578884 2.691876
C 2.799073 3.666193 -2.310861
H -1.309429 -2.948984 -1.054023
H -0.242255 -1.603404 -1.557656
H -0.699391 0.623388 -0.942143
H -2.418499 1.036860 -0.848595
H -0.598901 -2.676802 1.354466
H 0.418705 -1.238933 0.919881
H -0.961769 0.074103 1.727950
H -2.392376 1.145944 1.585985
H -5.143857 0.658534 0.805304
H -4.498251 -2.290417 -2.291845
H -6.979950 1.662857 -0.544046
H -6.333699 -1.280251 -3.630565
H -7.573694 0.695695 -2.760213
H 4.549519 -4.397117 -0.047568
H 1.550480 4.694321 0.695363
H 2.753096 -0.811437 1.611472
H 1.947613 0.672013 -0.895748
H 6.260597 -4.363690 1.759137
H 2.546177 5.608282 -1.392373
H 4.464101 -0.801665 3.404392
H 2.934326 1.606337 -2.965862
H 6.220357 -2.569306 3.484846
H 3.237358 4.070921 -3.224417


%chk=000257110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257110

0 1
S -3.682018 -1.525626 0.451315
S 2.395132 -2.664602 -0.643555
S 1.104460 2.221041 1.609248
O 0.911583 -3.330311 0.314201
O -0.755887 2.206162 1.247410
O -3.925338 -0.723978 1.856183
O -3.700412 -3.152425 0.375190
O 2.070232 -1.117474 -1.038335
O 2.718842 -3.761105 -1.779517
O 1.569486 0.670183 1.808487
O 1.340145 3.305735 2.778748
N -2.078403 -1.024827 -0.295916
C -1.084285 -2.094492 -0.498734
C -1.695673 0.389787 -0.123230
C -0.079124 -2.286541 0.659517
C -1.381144 0.869051 1.323198
C -4.943241 -0.844518 -0.782952
C -5.594212 0.356105 -0.459264
C -5.197572 -1.591666 -1.944611
C -6.549700 0.848814 -1.379595
C -6.158026 -1.083122 -2.848600
C 3.732534 -2.707276 0.680312
C 1.784133 2.889111 -0.013637
C -6.825383 0.134041 -2.568582
C 4.622601 -3.792906 0.648826
C 1.913092 4.284001 -0.121257
C 3.769920 -1.664203 1.621261
C 2.131996 1.970992 -1.017524
C 5.631703 -3.828002 1.638269
C 2.424919 4.792037 -1.337075
C 4.788326 -1.727844 2.601358
C 2.644536 2.508538 -2.222088
C 5.710548 -2.801473 2.609269
C 2.784401 3.907446 -2.381834
H -1.627626 -3.041181 -0.667154
H -0.528800 -1.844072 -1.423436
H -0.794197 0.533499 -0.749142
H -2.488427 1.034727 -0.547856
H -0.568992 -2.693079 1.564463
H 0.437179 -1.342038 0.914978
H -0.712217 0.161183 1.847699
H -2.295420 0.992436 1.927724
H -5.380941 0.864175 0.486816
H -4.682079 -2.540316 -2.124640
H -7.079236 1.781958 -1.161703
H -6.386401 -1.638612 -3.763998
H -7.569096 0.519715 -3.274169
H 4.534017 -4.567866 -0.119037
H 1.638618 4.939717 0.710816
H 3.052976 -0.833930 1.604962
H 2.042466 0.885715 -0.880605
H 6.348688 -4.655100 1.648513
H 2.541559 5.873207 -1.462829
H 4.851744 -0.937084 3.355533
H 2.934139 1.825474 -3.026821
H 6.493548 -2.838037 3.374206
H 3.181126 4.309556 -3.320206


