%chk=000107206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000107206

0 1
S -2.109675 2.528513 -0.437995
O -1.563354 -0.918506 2.181963
O -6.022763 1.161485 1.916540
O -4.886116 3.091908 2.006184
O 2.277434 1.213841 1.754170
O 1.850358 -1.567054 -0.082388
O 2.252724 -1.140753 -2.274538
N -2.607592 1.221925 1.818212
N 0.392602 1.065487 0.480160
C -1.691902 2.295939 1.318974
C -3.598515 1.401100 -0.449702
C -3.843938 1.034933 1.048259
C -0.475533 1.361038 1.600101
C -1.533671 0.239211 1.920281
C -3.221712 0.169418 -1.248353
C -4.729982 2.181232 -1.081571
C -4.899528 1.929475 1.699647
C 1.785804 0.979494 0.671848
C 2.551306 0.625511 -0.608626
C 4.052720 0.713820 -0.432133
C 2.216508 -0.765871 -1.129413
C 4.818012 1.352980 -1.419246
C 4.680192 0.145833 0.685431
C 6.206691 1.424708 -1.282178
C 6.069268 0.224076 0.816202
C 1.460199 -2.950786 -0.364528
C 6.833825 0.861451 -0.165844
C 0.043202 -2.998080 -0.857403
C -1.021761 -3.031378 0.053507
C -0.215604 -3.026229 -2.236294
C -2.335523 -3.134109 -0.413536
C -1.530157 -3.125472 -2.698187
C -2.590326 -3.190414 -1.787428
H -1.738541 3.246422 1.882525
H -4.185073 -0.038621 1.140168
H 0.120561 1.654142 2.505438
H -2.871596 0.421489 -2.260273
H -2.422090 -0.425353 -0.782083
H -4.078888 -0.506927 -1.381001
H -4.544984 2.386602 -2.146352
H -5.681410 1.632245 -1.030531
H -4.891407 3.163903 -0.607500
H -0.050468 0.862827 -0.416480
H 2.241924 1.358960 -1.410316
H -6.754582 1.660835 2.369352
H 4.339511 1.788863 -2.294739
H 4.080893 -0.335989 1.462159
H 6.800948 1.920883 -2.048041
H 6.554545 -0.211035 1.689011
H 2.183309 -3.382656 -1.081021
H 1.593018 -3.406953 0.636594
H 7.915898 0.920715 -0.061314
H -0.832722 -2.963733 1.128441
H 0.613606 -2.957986 -2.945241
H -3.158233 -3.176601 0.299070
H -1.727529 -3.157346 -3.768520
H -3.612484 -3.287313 -2.148865


%chk=000107206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107206

0 1
S -2.181552 2.687715 -0.497809
O -1.912596 -0.974893 1.967980
O -6.237307 2.021920 1.881968
O -4.499337 3.503715 2.324910
O 2.195347 0.841482 1.919762
O 2.146224 -1.770331 -0.285169
O 2.042020 -0.894824 -2.446473
N -2.711305 1.317530 1.767262
N 0.350747 1.003968 0.516077
C -1.719000 2.324577 1.321905
C -3.840615 1.647532 -0.392969
C -4.041498 1.358839 1.164495
C -0.578482 1.268105 1.584896
C -1.767780 0.250202 1.823814
C -3.642034 0.314022 -1.143842
C -4.965516 2.489277 -1.024524
C -4.897533 2.419445 1.854744
C 1.710085 0.813377 0.757581
C 2.535700 0.604112 -0.541264
C 4.045272 0.727328 -0.330799
C 2.203125 -0.741581 -1.215725
C 4.782471 1.648838 -1.113659
C 4.723893 -0.076388 0.619402
C 6.180705 1.772645 -0.950257
C 6.120227 0.049553 0.782929
C 1.856612 -3.147047 -0.827830
C 6.853578 0.972300 0.000365
C 0.387645 -3.341449 -1.140657
C -0.593246 -3.132666 -0.137638
C -0.017537 -3.760396 -2.431675
C -1.959759 -3.345797 -0.422631
C -1.383446 -3.990320 -2.713136
C -2.357403 -3.785065 -1.708169
H -1.702926 3.269422 1.878265
H -4.528795 0.376067 1.279406
H 0.004240 1.452823 2.504175
H -3.309355 0.500483 -2.179055
H -2.890137 -0.332251 -0.660053
H -4.598585 -0.243069 -1.185666
H -4.770956 2.634918 -2.101211
H -5.934171 1.965796 -0.921104
H -5.045115 3.485219 -0.557311
H -0.018773 1.005123 -0.440766
H 2.221757 1.369899 -1.274571
H -6.790889 2.729711 2.312311
H 4.264188 2.270113 -1.854430
H 4.157155 -0.782266 1.232479
H 6.739523 2.490185 -1.561267
H 6.636592 -0.570602 1.524192
H 2.485504 -3.308168 -1.720230
H 2.195476 -3.789376 0.001088
H 7.937627 1.066399 0.130636
H -0.301291 -2.779806 0.857379
H 0.734207 -3.893269 -3.218414
H -2.702339 -3.168776 0.362568
H -1.686294 -4.318913 -3.713676
H -3.416950 -3.963288 -1.926014


