%chk=000184139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184139

0 1
S -6.134175 -1.042331 -0.427627
O 5.086593 -0.354328 1.463599
O -5.177275 0.181565 0.251422
O -7.501149 -0.278037 0.122290
O -6.079716 -0.959784 -1.840722
O -5.935721 -2.252698 0.289097
C 3.262800 -0.417262 -0.220338
C 2.675426 0.960238 0.227387
C 1.177861 1.025402 -0.090071
C 4.794362 -0.171910 0.058691
C 0.475880 -0.068882 0.768096
C 2.600929 -1.517863 0.619511
C 3.634005 1.993407 -0.389860
C 1.070835 -1.464679 0.471181
C 5.023624 1.321717 -0.327894
C 0.558829 2.392356 0.230273
C 3.077853 -0.703472 -1.716076
C -1.026524 -0.020391 0.583628
C -0.910535 2.413346 -0.203750
C -1.667352 1.163198 0.154521
C 5.699626 -1.089551 -0.606565
C -1.807123 -1.143091 0.902282
C -3.064095 1.195150 0.024334
C -3.197864 -1.129761 0.785945
C -3.799088 0.050116 0.341287
C 6.458189 -1.852857 -1.147537
H 2.783327 1.039136 1.341358
H 1.013028 0.802148 -1.172396
H 0.669454 0.161365 1.850023
H 2.895891 -1.418429 1.682180
H 2.975149 -2.513103 0.311824
H 3.619283 2.946925 0.160259
H 3.354065 2.230375 -1.430324
H 0.785526 -1.776072 -0.553016
H 0.619771 -2.213728 1.151573
H 5.549466 1.403142 -1.293378
H 5.682227 1.802575 0.414959
H 1.113503 3.198849 -0.284532
H 0.640837 2.611105 1.312057
H 3.586706 0.034627 -2.344991
H 3.476909 -1.689908 -1.981438
H 2.017623 -0.694211 -1.997707
H -0.972606 2.556195 -1.305540
H -1.413012 3.299433 0.237862
H 4.574784 0.283879 2.001874
H -1.323038 -2.056735 1.257029
H -3.582765 2.090692 -0.311318
H -3.785842 -2.011459 1.050615
H 7.109323 -2.507345 -1.611094
H -7.348302 0.515347 0.680715


%chk=000184139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184139

0 1
S -6.370082 -0.715544 -0.939977
O 4.917739 -0.040730 1.573717
O -5.259146 0.228768 0.657388
O -7.754635 -0.826052 0.265501
O -6.929484 0.117576 -2.204398
O -5.729763 -2.181782 -1.194559
C 3.282947 -0.415798 -0.206766
C 2.679582 0.982980 0.140024
C 1.163950 1.042982 -0.113925
C 4.801021 -0.124499 0.087598
C 0.475187 -0.039933 0.778195
C 2.622762 -1.487516 0.688751
C 3.614257 1.986655 -0.581136
C 1.076130 -1.460452 0.549550
C 5.023520 1.303861 -0.537334
C 0.546020 2.423834 0.190326
C 3.129698 -0.794487 -1.704533
C -1.051465 0.019511 0.678632
C -0.937938 2.447346 -0.224544
C -1.716345 1.217605 0.236278
C 5.748613 -1.134199 -0.409248
C -1.846669 -1.101501 1.068508
C -3.120441 1.251990 0.201481
C -3.244893 -1.067194 1.039100
C -3.906575 0.133470 0.620458
C 6.574350 -1.969471 -0.782661
H 2.838160 1.119322 1.231043
H 0.961141 0.808372 -1.181208
H 0.727186 0.238071 1.830664
H 2.909098 -1.295655 1.738863
H 2.993973 -2.497853 0.428219
H 3.623206 2.975472 -0.090893
H 3.289843 2.141614 -1.627864
H 0.765524 -1.830084 -0.447157
H 0.662459 -2.171135 1.288867
H 5.470354 1.224329 -1.543599
H 5.736634 1.864004 0.093506
H 1.091531 3.219421 -0.350254
H 0.647536 2.639453 1.273662
H 3.586533 -0.051338 -2.381404
H 3.619776 -1.765289 -1.897807
H 2.069498 -0.893975 -1.991492
H -0.999991 2.501177 -1.331333
H -1.435929 3.359957 0.153849
H 5.879362 0.022383 1.804963
H -1.352176 -2.019015 1.398746
H -3.650060 2.151536 -0.134017
H -3.849008 -1.932985 1.327287
H 7.287057 -2.700564 -1.116991
H -7.322547 -0.580233 1.137622


