%chk=000195580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195580

0 1
S -0.588035 1.273634 -2.203122
S -3.561571 2.191261 -1.450842
S -5.632806 1.993066 0.719461
O 4.220821 0.337194 0.246054
O 2.190704 -4.603277 -0.519451
O -6.445967 2.513750 -0.359195
O -6.097860 0.905396 1.553929
O 6.590790 2.693468 1.039118
N 1.777240 -1.491191 -0.453404
N -5.368289 3.306886 1.795943
C 1.566311 -0.178953 -1.155276
C 3.240051 -1.744209 -0.243511
C 1.140746 -2.616386 -1.213215
C 0.175542 0.290183 -0.938349
C 3.753374 -0.870910 0.905490
C -1.930885 0.772101 -0.066350
C -0.659052 0.117624 0.119931
C 0.980379 -3.832252 -0.291902
C -2.035479 1.447499 -1.293479
C -3.116908 0.887603 0.725555
C -4.083114 1.634586 0.101710
C 4.678173 1.359594 1.162988
C 5.415548 2.352414 0.262485
C 2.255406 -5.813491 0.253844
C 7.519512 3.533728 0.332288
H 2.280311 0.570979 -0.706194
H 1.824115 -0.222174 -2.237966
H 3.856170 -1.558315 -1.152113
H 3.380063 -2.824212 0.014283
H 0.135420 -2.289373 -1.560936
H 1.715557 -2.918586 -2.118533
H 4.607363 -1.338060 1.424636
H 2.961719 -0.611643 1.629999
H -0.414304 -0.450222 1.010017
H 0.918333 -3.554675 0.774825
H 0.108518 -4.445662 -0.574249
H -3.218132 0.421603 1.701556
H 5.366639 0.928065 1.914993
H 3.800953 1.799261 1.664422
H 5.713635 1.877230 -0.691107
H 4.836606 3.268155 0.063904
H 2.257219 -5.588776 1.324277
H 1.430957 -6.483271 -0.007852
H 3.215384 -6.246420 -0.053744
H -5.580644 3.173180 2.781448
H -5.665811 4.236346 1.510574
H 8.318310 3.679058 1.070625
H 7.903424 3.022800 -0.555621
H 7.056063 4.489393 0.071557


%chk=000195580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195580

0 1
S -0.374902 1.244070 -2.423555
S -3.207639 2.465794 -1.347656
S -5.149366 2.290037 1.169315
O 4.356479 0.091728 -0.020343
O 2.029477 -4.806148 -0.156297
O -6.427628 2.137056 0.179530
O -5.091490 1.535174 2.614325
O 5.833801 3.126708 1.421956
N 1.987902 -1.763367 -0.833672
N -4.949495 4.110314 1.342128
C 1.771578 -0.479291 -1.547178
C 3.428405 -2.094267 -0.652287
C 1.192707 -2.875653 -1.416782
C 0.426626 0.117143 -1.201474
C 4.115977 -1.285456 0.448607
C -1.550008 0.766719 -0.069988
C -0.326391 -0.007518 -0.051506
C 0.838463 -3.984480 -0.421520
C -1.710795 1.488971 -1.269852
C -2.647912 0.978571 0.839637
C -3.587288 1.842354 0.310843
C 4.999347 0.923455 1.003124
C 5.199309 2.307127 0.386856
C 1.746718 -5.905079 0.764469
C 6.085917 4.491762 0.967415
H 2.576476 0.208648 -1.227752
H 1.861310 -0.587885 -2.658364
H 4.007181 -1.971688 -1.600006
H 3.477045 -3.159624 -0.368702
H 0.237414 -2.447888 -1.773226
H 1.697505 -3.336918 -2.299782
H 5.093069 -1.755896 0.699439
H 3.479583 -1.271263 1.359120
H 0.001633 -0.642931 0.772908
H 0.464171 -3.535015 0.523848
H 0.039848 -4.629101 -0.854338
H -2.757885 0.524390 1.826930
H 5.979323 0.491528 1.298185
H 4.360698 0.997873 1.908431
H 5.844977 2.236728 -0.515144
H 4.219376 2.737884 0.085971
H 1.400424 -5.531982 1.751819
H 0.974867 -6.589605 0.351962
H 2.691546 -6.456502 0.892230
H -4.424692 4.327019 2.205556
H -5.892806 4.532421 1.317115
H 6.555389 5.017994 1.813265
H 6.773418 4.510680 0.094639
H 5.142839 5.009408 0.689301


