%chk=000267801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267801

0 1
S -7.020115 -1.552139 0.057477
O -7.707904 -1.401766 1.322999
O -7.723691 -1.428713 -1.202274
O 4.352223 -3.755795 -0.002290
O 3.575931 4.549903 -0.074726
O 1.440620 4.314276 -0.057068
O 5.770761 -1.964183 -0.028548
N 0.328498 1.994973 -0.027362
N 4.259341 0.455571 -0.041158
N 2.577100 3.829000 -0.060718
N 3.388982 -1.755007 -0.013910
N -6.366035 -3.144792 0.070435
N 5.210582 2.547274 -0.067658
C -2.143737 1.993007 -0.011058
C -0.875130 1.124895 -0.010508
C -3.364523 1.113977 0.006017
C 1.604876 1.503637 -0.031791
C -3.926109 0.713347 1.228787
C -3.941932 0.688140 -1.200764
C -5.625573 -0.535273 0.037852
C -5.056001 -0.106900 1.241234
C -5.071778 -0.132033 -1.181476
C 2.736131 2.418168 -0.048587
C 1.843023 0.112272 -0.020269
C 3.170091 -0.359823 -0.025484
C 4.057114 1.820429 -0.052512
C 4.652658 -2.401489 -0.016813
C 5.516434 -4.661979 -0.002310
C 4.888729 -6.037126 0.020381
H -2.157821 2.662204 -0.899449
H -2.146210 2.680324 0.863497
H -0.868644 0.453797 -0.902603
H -0.856780 0.472228 0.894994
H 0.165741 3.021402 -0.035763
H -3.488050 1.045657 2.169053
H -3.516201 1.000821 -2.153344
H -5.501263 -0.404980 2.197981
H -5.529432 -0.449839 -2.125951
H 1.018503 -0.587469 -0.007506
H 2.560178 -2.363900 -0.002366
H -6.512447 -3.728042 -0.750805
H -6.503124 -3.710715 0.905299
H 6.106623 2.070307 -0.069654
H 5.204876 3.569261 -0.077284
H 6.099933 -4.453821 -0.915954
H 6.117652 -4.431993 0.894475
H 4.239931 -6.198997 -0.851926
H 4.261249 -6.179811 0.911396
H 5.655820 -6.821886 0.019610


%chk=000267801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267801

0 1
S -7.159026 -1.603099 0.021540
O -8.010831 -1.243130 1.362444
O -7.787853 -1.583322 -1.481151
O 4.357684 -3.766753 -0.043678
O 3.620309 4.666455 -0.012486
O 1.370393 4.364438 -0.008788
O 5.878939 -1.967847 -0.023140
N 0.351649 1.988524 -0.010596
N 4.336834 0.515792 -0.022220
N 2.589589 3.854542 -0.012059
N 3.494328 -1.696485 -0.025595
N -6.480172 -3.299123 0.276319
N 5.245668 2.629564 -0.019193
C -2.115566 1.996259 -0.017225
C -0.832160 1.127711 -0.003471
C -3.365910 1.131844 -0.008386
C 1.640374 1.522143 -0.012965
C -4.038538 0.846761 1.208067
C -3.865100 0.578515 -1.216984
C -5.620519 -0.518228 0.012074
C -5.179498 0.014892 1.232173
C -5.003129 -0.256400 -1.220478
C 2.778224 2.440864 -0.014782
C 1.917259 0.129933 -0.014060
C 3.265044 -0.309211 -0.020049
C 4.116874 1.863723 -0.018570
C 4.710632 -2.395999 -0.029830
C 5.509696 -4.713172 -0.049070
C 4.922641 -6.120454 -0.081776
H -2.097200 2.639655 -0.917366
H -2.103179 2.664081 0.864175
H -0.830496 0.456951 -0.888543
H -0.835408 0.476428 0.896045
H 0.271634 3.022485 -0.008765
H -3.675087 1.285893 2.144235
H -3.369316 0.812614 -2.166369
H -5.725702 -0.190087 2.158326
H -5.417219 -0.666626 -2.147006
H 1.098550 -0.592691 -0.010372
H 2.671105 -2.302538 -0.029483
H -6.742113 -3.869521 -0.545504
H -6.869000 -3.664473 1.162133
H 6.136134 2.132336 -0.021816
H 5.147022 3.650891 -0.016914
H 6.135996 -4.495692 -0.933214
H 6.116305 -4.529377 0.856272
H 4.311186 -6.272649 -0.987608
H 4.290075 -6.305751 0.803160
H 5.739974 -6.864266 -0.085852


