%chk=000186194.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186194

0 1
S 8.490352 1.112898 2.186460
S -5.078439 -6.614872 -2.618795
O 2.816321 3.224785 0.121640
O -4.317784 -1.082998 0.487155
O 9.745214 2.226307 1.974528
O -5.151866 -7.954737 -1.592298
O 8.648765 0.617010 3.524987
O 8.562382 0.211910 1.071205
O -6.152005 -6.788789 -3.556050
O -3.721546 -6.542376 -3.082775
N 2.617492 3.541926 -2.649227
N -5.021112 0.159922 2.773747
C 6.008692 1.650574 1.249050
C -4.511489 -4.194008 -1.548744
C 4.901741 2.688358 1.033481
C -4.789817 -3.162750 -0.449748
C 7.165318 2.239942 2.057375
C -5.449192 -5.395221 -1.426414
C 3.737885 2.092312 0.244082
C -3.831464 -1.976871 -0.559203
C -0.689900 2.190378 -0.364088
C -1.832026 1.686270 0.426796
C 1.613406 2.893174 -0.501848
C -3.556163 0.034874 0.780209
C 0.549474 2.414105 0.257549
C -2.486980 0.502420 0.027510
C 1.484746 3.156726 -1.892020
C -4.006283 0.721845 1.951580
C -0.834643 2.450892 -1.736048
C -2.265858 2.375560 1.561605
C 0.232555 2.933339 -2.494510
C -3.346293 1.900813 2.316794
H 6.376614 1.282406 0.264109
H 5.590422 0.761911 1.767759
H -4.624057 -3.716793 -2.545511
H -3.450830 -4.529858 -1.492322
H 5.291643 3.578034 0.498323
H 4.526265 3.076821 2.002658
H -4.694695 -3.620093 0.556893
H -5.835819 -2.797079 -0.505130
H 7.502968 3.197144 1.592429
H 6.803170 2.560105 3.060744
H -5.388832 -5.818642 -0.394712
H -6.509079 -5.062155 -1.501850
H 3.226648 1.274920 0.778643
H 4.020198 1.763836 -0.770773
H -3.904975 -1.449256 -1.525213
H -2.784603 -2.251433 -0.343616
H 0.684743 2.225148 1.321925
H -2.140699 -0.022935 -0.857659
H -1.799464 2.282528 -2.215546
H -1.765668 3.294472 1.865033
H 0.098540 3.126149 -3.556645
H -3.663246 2.447573 3.203351
H 3.359447 3.964389 -2.097529
H 2.417257 4.085187 -3.478290
H -5.573132 -0.557819 2.314303
H -5.617402 0.840951 3.225747
H 10.645571 1.912041 2.125298
H -5.049869 -8.827467 -1.993004


%chk=000186194-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186194

0 1
S 8.162840 3.376119 3.614915
S -6.868810 -5.685168 -3.519837
O 3.428845 2.521264 -0.911087
O -3.895053 -1.795171 0.914534
O 9.826475 3.989412 3.036095
O -8.180260 -6.857827 -2.899876
O 7.466256 4.483790 4.566817
O 8.285715 1.848756 4.134684
O -7.533374 -4.585031 -4.503018
O -5.574001 -6.515895 -4.020272
N 2.608953 2.739078 -3.449996
N -3.720313 -0.916279 3.436384
C 5.974368 2.925102 1.878065
C -5.428038 -3.929517 -1.827543
C 5.363194 2.959523 0.454288
C -5.187278 -3.322087 -0.421918
C 7.415876 3.431525 1.842712
C -6.567453 -4.945927 -1.769169
C 3.920926 2.438956 0.466353
C -4.036227 -2.309764 -0.449947
C -0.109613 1.201029 -0.527741
C -1.034590 0.667270 0.507915
C 2.093433 2.107360 -1.155716
C -2.893731 -0.816891 1.147939
C 1.215902 1.601676 -0.183603
C -2.018741 -0.310436 0.173819
C 1.698293 2.235416 -2.524695
C -2.831518 -0.379259 2.508580
C -0.501213 1.332088 -1.885650
C -0.975952 1.102157 1.857765
C 0.381101 1.835664 -2.864131
C -1.851941 0.591104 2.837956
H 5.950967 1.890603 2.271715
H 5.371709 3.555415 2.560147
H -5.678432 -3.124488 -2.545260
H -4.504631 -4.422577 -2.187488
H 5.962001 2.337687 -0.237872
H 5.367139 3.992452 0.057693
H -4.943193 -4.119094 0.305915
H -6.100996 -2.813666 -0.060206
H 8.106860 2.796760 1.266356
H 7.521185 4.492095 1.565701
H -6.349728 -5.838068 -1.161431
H -7.549147 -4.517617 -1.513307
H 3.281625 3.056799 1.131651
H 3.883223 1.386715 0.818383
H -4.258355 -1.474071 -1.146638
H -3.089987 -2.794055 -0.770755
H 1.554467 1.472467 0.848908
H -2.057844 -0.691849 -0.851218
H -1.524440 1.074450 -2.180276
H -0.260963 1.881417 2.143855
H 0.044282 1.936638 -3.902994
H -1.789381 0.956428 3.870189
H 3.535804 3.008225 -3.133507
H 2.362448 2.830014 -4.429876
H -4.397563 -1.607557 3.128016
H -3.692127 -0.634873 4.410669
H 10.428141 4.056543 3.831751
H -8.534538 -7.371029 -3.681344


