%chk=000202387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202387

0 1
S -2.333205 2.577465 -0.092914
S -2.911897 -1.204316 0.083589
O -0.766626 2.308320 -0.639212
O -1.259144 -1.203613 0.437510
O -2.350383 3.898196 0.483935
O -2.666276 1.478533 0.802697
O -3.202503 -2.557880 -0.338356
O -3.151995 -0.164202 -0.897428
N 2.655811 1.751717 0.484524
N 1.928717 -2.728340 -0.498663
C 3.734131 -0.249794 -0.585349
C 3.563885 -1.178975 0.620491
C 3.902021 1.219872 -0.166378
C 3.253410 -2.625707 0.204017
C 1.517520 1.819521 -0.485608
C 0.795896 -2.340965 0.398734
C 2.930294 3.098209 1.073542
C 1.739098 -4.115905 -1.021021
C 0.200075 1.787514 0.304140
C -0.377292 -1.884882 -0.482784
C -3.157088 2.554353 -1.602185
C -3.559794 -0.907017 1.648687
H 4.608136 -0.558952 -1.188064
H 2.851060 -0.359959 -1.254665
H 4.475929 -1.168206 1.245578
H 2.748275 -0.782363 1.268023
H 4.725440 1.298951 0.577888
H 4.213123 1.821322 -1.047902
H 3.315346 -3.286233 1.095948
H 4.031146 -2.979450 -0.509119
H 1.555388 0.937322 -1.167322
H 1.531974 2.719179 -1.139435
H 1.105140 -1.479643 1.043164
H 0.468334 -3.144217 1.089520
H 2.008445 3.490621 1.534441
H 3.296952 3.850296 0.359750
H 3.672151 2.988950 1.880330
H 0.779832 -4.173872 -1.560419
H 1.747053 -4.905274 -0.255194
H 2.531845 -4.333578 -1.754483
H 0.223127 2.437092 1.197001
H -0.104232 0.758184 0.585053
H -0.900060 -2.733884 -0.960836
H -0.063621 -1.146020 -1.243846
H -3.601641 1.551373 -1.823880
H -3.977005 3.280180 -1.681292
H -2.494935 2.742071 -2.463892
H -3.806312 0.170084 1.812449
H -4.469171 -1.479436 1.873520
H -2.845173 -1.123946 2.461213


%chk=000202387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202387

0 1
S -2.397844 2.904066 -0.053064
S -3.112982 -1.549735 -0.032304
O -0.815258 2.184924 -0.721764
O -1.300705 -1.246279 0.366510
O -2.210712 4.495972 0.167153
O -2.933652 2.024995 1.206700
O -3.323494 -3.147931 -0.211894
O -3.625198 -0.572053 -1.224044
N 2.736975 1.798588 0.373113
N 1.993881 -2.804494 -0.360952
C 3.728409 -0.290816 -0.667271
C 3.684322 -1.165134 0.602919
C 3.900719 1.210220 -0.349488
C 3.301810 -2.636324 0.328379
C 1.574254 2.046667 -0.508326
C 0.830258 -2.372598 0.434722
C 3.109476 2.989232 1.168745
C 1.830908 -4.155397 -0.937479
C 0.253574 2.006825 0.290309
C -0.357391 -2.003503 -0.484143
C -3.397813 2.520098 -1.613032
C -3.745707 -0.924388 1.637383
H 4.569044 -0.609093 -1.317839
H 2.805956 -0.467461 -1.252062
H 4.678431 -1.164534 1.095802
H 2.986376 -0.698747 1.323896
H 4.787737 1.336059 0.302092
H 4.117194 1.772414 -1.292612
H 3.332098 -3.208195 1.291517
H 4.068400 -3.087386 -0.332364
H 1.530590 1.256384 -1.277853
H 1.643419 3.025468 -1.041097
H 1.102377 -1.466512 1.002488
H 0.496462 -3.141255 1.173653
H 2.244270 3.350519 1.751221
H 3.475230 3.839737 0.540712
H 3.905457 2.721319 1.885369
H 0.909866 -4.209900 -1.543416
H 1.776847 -4.959118 -0.160803
H 2.682841 -4.378767 -1.603612
H 0.214435 2.826427 1.033660
H 0.121275 1.034706 0.794718
H -0.858475 -2.907370 -0.883778
H -0.010760 -1.362987 -1.314335
H -3.466859 1.420363 -1.646011
H -4.369568 3.013228 -1.470237
H -2.823154 2.948707 -2.444338
H -3.438789 0.134453 1.674442
H -4.836390 -1.057285 1.610461
H -3.256940 -1.551413 2.393650


