%chk=000207865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207865

0 1
S -2.413066 0.779549 1.011524
S 3.529063 -1.266656 -2.092803
P 4.170217 -0.738275 -0.391588
O -3.225416 -0.368489 1.385603
O -2.514436 1.996785 1.795958
O 3.170106 -1.060680 0.897620
O 4.484238 0.852560 -0.126454
O 5.551234 -1.417406 0.173030
N -2.718229 1.234874 -0.618060
C -2.626147 0.179263 -1.658429
C -3.742543 2.290252 -0.831610
C -3.669624 -0.946505 -1.554121
C -5.215123 1.847948 -0.769850
C -0.760477 0.261305 0.948037
C -3.442390 -2.007057 -2.624247
C -5.702570 1.542397 0.640675
C 0.261370 1.204249 0.795297
C -0.460042 -1.101236 1.071796
C 1.596167 0.797477 0.741101
C 0.862991 -1.536714 1.018601
C 1.868112 -0.572660 0.847669
C 5.356043 1.482248 -1.101606
C 5.631991 -2.862902 0.066030
H -1.597017 -0.248440 -1.613667
H -2.703075 0.666989 -2.657494
H -3.542690 2.750343 -1.827043
H -3.558362 3.094451 -0.075311
H -3.648948 -1.409604 -0.542363
H -4.693239 -0.517691 -1.646563
H -5.838009 2.652113 -1.210388
H -5.370944 0.955740 -1.418107
H -4.187748 -2.808007 -2.544888
H -2.454960 -2.474399 -2.531788
H -3.517437 -1.591358 -3.635463
H -6.794143 1.465776 0.678504
H -5.402543 2.317292 1.358226
H -5.302048 0.587125 1.017367
H 0.021232 2.271440 0.723879
H -1.269379 -1.830680 1.212162
H 2.399602 1.531273 0.639414
H 1.124752 -2.589069 1.109764
H 5.390241 2.520446 -0.735193
H 4.921690 1.454328 -2.110166
H 6.360901 1.042723 -1.069238
H 6.645053 -3.059354 0.451125
H 5.553686 -3.199595 -0.976443
H 4.886916 -3.342166 0.713502


%chk=000207865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207865

0 1
S -2.493497 0.747939 1.070674
S 3.961809 -0.934778 -2.400677
P 4.454024 -0.649349 -0.422942
O -3.300094 -0.530447 1.705417
O -2.529615 2.197117 1.817832
O 3.278444 -1.077308 0.796836
O 4.838511 0.944428 0.105205
O 5.804151 -1.507830 0.204069
N -2.891921 1.111209 -0.699846
C -2.950010 -0.077157 -1.583445
C -3.738065 2.309581 -0.916581
C -4.126474 -1.080393 -1.436874
C -5.280242 2.156842 -0.920961
C -0.697935 0.191578 0.914714
C -3.961873 -2.254330 -2.426787
C -5.870129 1.671669 0.420178
C 0.281568 1.164291 0.653053
C -0.405924 -1.164355 1.134206
C 1.628932 0.754392 0.588034
C 0.942020 -1.574394 1.055177
C 1.939752 -0.613345 0.781376
C 5.828458 1.719249 -0.685854
C 6.003487 -2.923685 -0.189272
H -1.996312 -0.631249 -1.462498
H -2.936337 0.333208 -2.614541
H -3.402281 2.724768 -1.889490
H -3.446486 3.036401 -0.134225
H -4.151989 -1.455834 -0.397936
H -5.089300 -0.570705 -1.619865
H -5.689560 3.160084 -1.160258
H -5.597672 1.492059 -1.747474
H -4.791432 -2.976454 -2.323392
H -3.017141 -2.801964 -2.245982
H -3.950975 -1.902855 -3.476562
H -6.974494 1.652594 0.379170
H -5.568291 2.340151 1.247177
H -5.523777 0.655227 0.680231
H 0.002638 2.214447 0.525125
H -1.211561 -1.865787 1.373475
H 2.432662 1.476058 0.413131
H 1.230359 -2.617577 1.210153
H 5.788550 2.732131 -0.260051
H 5.545593 1.737117 -1.754249
H 6.835177 1.286970 -0.557476
H 7.036198 -3.151009 0.112193
H 5.882784 -3.049379 -1.280997
H 5.293274 -3.569323 0.354809


