%chk=000278792.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278792

0 1
S 1.919401 1.018209 2.412494
S -0.721401 -0.557509 2.992335
O 3.354249 0.914704 2.312612
O 1.215103 0.613493 3.623394
O -1.578599 -0.841243 -1.687017
O 3.502166 -0.653651 -1.629807
O 0.324771 -2.038514 -1.464873
O 2.399807 1.235179 -1.047502
N 1.310754 -0.145381 1.238695
C 0.025958 -0.653655 1.378079
C -0.847473 -1.238885 0.489574
C 2.275440 -0.811150 0.343359
C 1.351232 2.541640 1.911235
C -2.113389 -1.614694 1.105558
C -2.194227 -1.289552 2.422781
C -3.179769 -2.305175 0.356302
C 1.988895 3.251306 0.884674
C 0.227024 3.101529 2.543641
C -0.600051 -1.446089 -0.942041
C 2.679116 0.080654 -0.818267
C 0.393848 5.063887 1.127096
C 1.516673 4.505686 0.496387
C -0.247867 4.350304 2.159496
C -2.954892 -3.593751 -0.154247
C -4.423039 -1.683164 0.165293
C -0.130894 6.394894 0.708528
C -3.971792 -4.254434 -0.847651
C -5.433683 -2.348783 -0.533763
C -5.210797 -3.633651 -1.039072
C -1.554428 -1.035299 -3.138131
C 4.058905 -0.009501 -2.820963
C -2.131961 -2.394419 -3.473277
C 5.249113 0.839967 -2.428582
H 1.866010 -1.778551 -0.073472
H 3.202000 -1.095149 0.911376
H -3.023664 -1.448323 3.089503
H 2.860867 2.821688 0.372194
H -0.277133 2.552572 3.350060
H 2.017273 5.042203 -0.308270
H -1.120192 4.775759 2.652608
H -1.988289 -4.074897 -0.006511
H -4.591859 -0.679911 0.553559
H -0.375537 7.032560 1.570664
H 0.575734 6.957976 0.083249
H -1.056720 6.281786 0.121273
H -3.798508 -5.255763 -1.238167
H -6.396781 -1.864488 -0.684536
H -6.001012 -4.150948 -1.579098
H -0.518120 -0.908243 -3.496725
H -2.193380 -0.195383 -3.466248
H 3.259999 0.571254 -3.314489
H 4.331759 -0.896544 -3.422568
H -1.434501 -3.200863 -3.204117
H -3.061738 -2.578698 -2.913089
H -2.356350 -2.487683 -4.540734
H 5.792794 1.201429 -3.309058
H 5.957547 0.275819 -1.806514
H 4.938908 1.718347 -1.844626


%chk=000278792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278792

0 1
S 2.284261 1.111044 2.179808
S -0.286813 -1.072834 3.274326
O 3.788067 1.274665 1.586393
O 2.073017 0.968195 3.785612
O -1.300290 -0.188001 -1.440355
O 4.137675 -1.318435 -1.265342
O 0.460401 -1.716945 -1.467691
O 2.617341 0.447619 -1.262721
N 1.649769 -0.475953 1.327120
C 0.347428 -0.867500 1.552577
C -0.665091 -1.175419 0.630226
C 2.684273 -1.213900 0.603815
C 1.095673 2.450516 1.582588
C -1.925426 -1.573182 1.231754
C -1.880041 -1.527511 2.620580
C -3.134229 -2.019414 0.488783
C 1.083331 2.792138 0.221930
C 0.303423 3.073778 2.560473
C -0.427700 -1.084095 -0.840677
C 3.102331 -0.572297 -0.726935
C -0.610559 4.505832 0.771498
C 0.214609 3.835145 -0.169832
C -0.553189 4.111401 2.135347
C -3.032370 -2.959653 -0.572004
C -4.422733 -1.551439 0.860930
C -1.554700 5.608943 0.330153
C -4.187015 -3.414283 -1.244032
C -5.578221 -2.009912 0.191896
C -5.465842 -2.942982 -0.865098
C -1.145925 0.005565 -2.919550
C 4.734823 -0.818624 -2.544631
C -1.879701 -1.087578 -3.700538
C 5.819817 0.221057 -2.252624
H 2.287434 -2.219480 0.381833
H 3.597514 -1.333160 1.216160
H -2.687423 -1.762816 3.312513
H 1.702247 2.247978 -0.499636
H 0.366310 2.758002 3.606429
H 0.177925 4.127820 -1.225335
H -1.182841 4.621633 2.873427
H -2.049026 -3.353517 -0.854824
H -4.511812 -0.807653 1.661121
H -1.551429 6.453022 1.042675
H -1.285889 6.000181 -0.665631
H -2.595130 5.235399 0.271420
H -4.089620 -4.144749 -2.055119
H -6.563625 -1.633681 0.489069
H -6.362038 -3.298515 -1.385583
H -0.067005 0.022896 -3.153496
H -1.589191 1.000437 -3.084966
H 3.923906 -0.398925 -3.165321
H 5.141191 -1.728992 -3.012831
H -1.397877 -2.067971 -3.550737
H -2.934162 -1.156188 -3.383399
H -1.853354 -0.850014 -4.780523
H 6.292594 0.542497 -3.199420
H 6.602952 -0.199811 -1.599253
H 5.389259 1.108570 -1.759742


