%chk=000299297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299297

0 1
S -0.962299 -1.975102 2.913318
O -2.744298 1.376843 -0.063953
O 0.214691 1.794980 2.335017
O 4.561250 -1.493365 -0.250442
O -0.731105 0.771084 -0.896800
O 4.106580 -0.525766 -2.247010
N 0.782644 -0.303024 1.634507
C 1.743219 -1.230926 0.967387
C 1.423804 -1.410853 -0.525501
C -0.550246 -0.765362 1.715040
C -1.663369 -0.412301 0.986129
C 2.547420 -2.142872 -1.260285
C -2.850971 -1.145200 1.387199
C 1.036738 1.099430 1.778535
C -2.617983 -2.028744 2.401732
C -4.160946 -0.975069 0.732235
C 2.346052 1.599211 1.259429
C -1.624356 0.598225 -0.088015
C 3.781544 -1.285598 -1.367414
C -4.351606 -1.427920 -0.582745
C -5.218468 -0.370386 1.428351
C 2.480809 1.836901 -0.115119
C 3.387329 1.897757 2.145762
C -5.598548 -1.277092 -1.194517
C -6.461755 -0.221025 0.807767
C 3.675813 2.370462 -0.604419
C 4.577815 2.435468 1.647371
C -6.653739 -0.674694 -0.501193
C -2.888309 2.406748 -1.098007
C 4.720885 2.672494 0.275846
C 5.826248 -0.767226 -0.141802
C -3.415167 1.767258 -2.365181
C 6.869255 -1.412904 -1.029593
H 1.713525 -2.210846 1.494918
H 2.780588 -0.839920 1.105986
H 1.217105 -0.422616 -1.002482
H 0.474861 -1.972240 -0.648759
H 2.214191 -2.409850 -2.287755
H 2.789369 -3.100855 -0.751809
H -3.325521 -2.697742 2.863431
H -3.529142 -1.894346 -1.122217
H -5.063132 -0.007580 2.443904
H 1.652112 1.608696 -0.795636
H 3.265689 1.722635 3.214601
H -5.748822 -1.631334 -2.212857
H -7.281637 0.252273 1.345783
H 3.792701 2.543458 -1.675244
H 5.389924 2.678723 2.330547
H -7.623861 -0.558460 -0.980539
H -1.915927 2.910652 -1.238488
H -3.616625 3.080492 -0.609921
H 5.646602 3.099661 -0.108547
H 6.039615 -0.879291 0.936550
H 5.642764 0.292193 -0.399203
H -2.642091 1.161747 -2.858976
H -4.261494 1.098625 -2.148037
H -3.757316 2.520288 -3.083841
H 6.937416 -2.493770 -0.852952
H 6.625763 -1.272370 -2.093839
H 7.863113 -0.982758 -0.860250


%chk=000299297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299297

0 1
S -0.973350 -1.692319 3.006315
O -2.806477 1.530056 -0.226249
O -0.127527 2.034142 2.392893
O 5.195672 -2.651317 -0.669162
O -0.708609 0.877039 -1.010257
O 4.184752 -0.626025 -1.234292
N 0.686095 0.023784 1.528314
C 1.803382 -0.910039 1.212439
C 1.633403 -1.597139 -0.161309
C -0.598568 -0.550500 1.637496
C -1.738778 -0.278958 0.884591
C 2.805329 -2.544969 -0.485419
C -2.925888 -0.995478 1.334393
C 0.828030 1.400595 1.854539
C -2.664178 -1.795452 2.438765
C -4.258365 -1.002739 0.671855
C 2.127720 2.088931 1.539817
C -1.673978 0.727228 -0.216954
C 4.093346 -1.811263 -0.835547
C -4.377156 -1.168023 -0.734006
C -5.443308 -0.904101 1.447602
C 2.787215 1.948894 0.291839
C 2.630091 3.009291 2.497227
C -5.646184 -1.229221 -1.346875
C -6.714298 -0.967755 0.835427
C 3.952376 2.698708 0.019804
C 3.799092 3.749630 2.226193
C -6.821610 -1.130186 -0.564949
C -2.834446 2.636888 -1.233251
C 4.464968 3.594307 0.986094
C 6.532917 -2.087732 -1.041545
C -3.346846 2.138722 -2.587927
C 6.798292 -2.262532 -2.539253
H 1.847068 -1.684233 2.008079
H 2.745365 -0.342376 1.252834
H 1.532220 -0.829052 -0.947231
H 0.692569 -2.178064 -0.162039
H 2.545545 -3.172791 -1.360936
H 3.012924 -3.249528 0.341076
H -3.339959 -2.500550 2.919846
H -3.472460 -1.264584 -1.345484
H -5.362297 -0.749338 2.529577
H 2.393544 1.275219 -0.474306
H 2.085956 3.141456 3.438264
H -5.719338 -1.363408 -2.432151
H -7.618072 -0.881621 1.449043
H 4.453252 2.576185 -0.945852
H 4.186291 4.450690 2.973896
H -7.807108 -1.178013 -1.041571
H -1.817357 3.058706 -1.314217
H -3.516155 3.371314 -0.776548
H 5.371508 4.172634 0.773896
H 7.237004 -2.668500 -0.424767
H 6.556428 -1.023054 -0.749476
H -2.635577 1.426368 -3.038638
H -4.329425 1.648611 -2.478482
H -3.459815 2.996297 -3.277254
H 6.713406 -3.322814 -2.833673
H 6.088130 -1.666120 -3.136270
H 7.821938 -1.919005 -2.778227


