%chk=000183448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183448

0 1
S -2.294099 0.118912 -1.215159
O -1.445527 -0.926999 -1.780591
O -3.186704 0.827772 -2.120607
O 0.415971 -0.802263 0.036882
O 1.499137 -0.614471 -1.962773
O 5.462579 2.208654 0.318249
O 3.567723 2.043538 1.542868
C -1.204882 1.295935 -0.409783
C 0.153870 1.267889 -1.124093
C -1.914649 2.672873 -0.336229
C 1.218883 2.163589 -0.462283
C -1.826406 3.462811 -1.643889
C -1.406668 3.510166 0.845157
C 2.456811 2.340496 -1.348915
C 0.745190 -0.145426 -1.155809
C -3.242886 -0.527682 0.082714
C 3.555736 3.151007 -0.653015
C -2.688049 -1.458548 0.965328
C -4.578580 -0.136643 0.221952
C 4.117317 2.411630 0.530972
C -3.462609 -1.982746 2.004725
C -5.354450 -0.658494 1.260715
C 0.795330 -2.144934 0.214829
C -4.794470 -1.580805 2.152284
C 1.509667 -2.430466 1.382344
C 0.371163 -3.126061 -0.686988
C 1.798590 -3.771324 1.653178
C 0.680143 -4.455068 -0.394598
C 6.192689 1.479534 1.340602
C 1.387658 -4.777397 0.771436
H -1.017595 0.963060 0.648470
H 0.020979 1.585947 -2.194694
H -3.006062 2.478651 -0.139671
H 1.511309 1.742605 0.527562
H 0.776751 3.158285 -0.228157
H -2.274880 2.895044 -2.477634
H -0.799454 3.716662 -1.919647
H -2.385502 4.402989 -1.574367
H -0.352882 3.801611 0.714018
H -1.479624 2.969653 1.794433
H -1.985636 4.434998 0.948156
H 2.180014 2.848743 -2.294947
H 2.858912 1.349224 -1.658780
H 4.367454 3.384404 -1.379040
H 3.165374 4.131725 -0.306649
H -1.647638 -1.786038 0.843201
H -5.020764 0.571131 -0.489742
H -3.029456 -2.707779 2.692710
H -6.393956 -0.353719 1.370851
H -5.399857 -1.990713 2.961789
H 1.827547 -1.629681 2.045014
H -0.180504 -2.833358 -1.588819
H 2.352678 -4.030501 2.554168
H 0.369630 -5.243881 -1.079167
H 5.947075 0.416661 1.251764
H 7.237627 1.679540 1.082309
H 5.935448 1.856663 2.335829
H 1.623632 -5.816809 0.989235


%chk=000183448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183448

0 1
S -2.677809 0.260725 -1.236265
O -1.976011 -0.962600 -2.074524
O -3.846328 1.174821 -1.939606
O 0.417700 -0.833733 -0.245766
O 1.013665 -0.749845 -2.520448
O 5.085633 2.667845 1.217502
O 3.722425 0.793118 1.022880
C -1.191969 1.482876 -0.542090
C 0.053114 1.241654 -1.408674
C -1.820291 2.894608 -0.473334
C 1.271054 2.011819 -0.775309
C -1.699525 3.695648 -1.790472
C -1.300010 3.687183 0.757748
C 2.619261 1.772773 -1.494375
C 0.483858 -0.224595 -1.529982
C -3.465630 -0.466901 0.334805
C 3.785239 2.495795 -0.790826
C -2.807285 -1.515460 0.998767
C -4.708986 0.052618 0.729981
C 4.152347 1.871046 0.549692
C -3.433742 -2.059869 2.144259
C -5.319981 -0.506559 1.877210
C 0.895269 -2.177710 -0.088536
C -4.681433 -1.554359 2.581961
C 1.985765 -2.374957 0.780619
C 0.238406 -3.243180 -0.737880
C 2.417933 -3.698945 1.024375
C 0.688983 -4.558601 -0.486449
C 5.563196 2.149438 2.523553
C 1.771205 -4.789655 0.396080
H -1.063530 1.035551 0.459193
H -0.110361 1.601408 -2.439662
H -2.907887 2.746256 -0.307375
H 1.362855 1.702564 0.282061
H 1.046531 3.093570 -0.797320
H -2.167523 3.144143 -2.624450
H -0.648484 3.919689 -2.049943
H -2.228964 4.660050 -1.688691
H -0.233071 3.953679 0.669906
H -1.431729 3.111612 1.692794
H -1.872834 4.627536 0.855550
H 2.552927 2.124727 -2.541414
H 2.848057 0.694556 -1.537353
H 4.694193 2.463471 -1.423129
H 3.572913 3.569563 -0.627245
H -1.852607 -1.905222 0.633454
H -5.184016 0.842745 0.138415
H -2.949178 -2.878913 2.685869
H -6.292129 -0.129671 2.212163
H -5.161485 -1.984809 3.467679
H 2.483004 -1.508151 1.228184
H -0.586022 -3.033368 -1.427485
H 3.264307 -3.875396 1.697363
H 0.196369 -5.400971 -0.984277
H 6.053787 1.170801 2.389277
H 6.276599 2.904993 2.880421
H 4.717596 2.038051 3.222880
H 2.113728 -5.812870 0.585933


