%chk=000186499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186499

0 1
S -0.672886 -0.507570 1.606629
O 1.207838 3.505270 -0.578281
O -1.331414 0.066933 2.769663
O 0.175949 -1.671354 1.798925
N 0.282772 0.741363 0.890503
C 0.024048 2.640722 -0.614513
C -0.391641 2.055737 0.726670
C -0.089600 4.117206 -0.868718
C 1.742246 0.858388 1.214016
C 2.514421 0.042746 0.185849
C -1.874244 -0.806414 0.401132
C 2.071969 0.467923 2.655293
C -1.571673 -1.410326 -0.825086
C -3.195856 -0.439268 0.704060
C 3.005114 0.700889 -0.953365
C 2.746656 -1.329683 0.344240
C -4.224724 -0.654172 -0.213179
C -2.614777 -1.623091 -1.754418
C -0.188294 -1.828971 -1.171210
C -3.918215 -1.251590 -1.454211
C 3.733762 -0.005581 -1.913102
C 3.478766 -2.032946 -0.616545
C 3.975649 -1.373105 -1.744674
C -5.633178 -0.271372 0.102841
H 0.033984 1.933091 -1.451930
H -1.500389 1.940710 0.744222
H -0.139486 2.759168 1.556442
H -0.185355 4.500812 -1.881985
H -0.443709 4.797125 -0.097797
H 2.039471 1.943408 1.083370
H 3.128833 0.661767 2.875664
H 1.475600 1.033539 3.381293
H 1.905052 -0.603167 2.859069
H -3.419718 0.013308 1.679282
H 2.815932 1.768848 -1.089133
H 2.336173 -1.854524 1.215081
H -2.390066 -2.088820 -2.712919
H 0.270677 -2.447886 -0.372905
H -0.124993 -2.414359 -2.096091
H 0.487795 -0.962280 -1.294812
H -4.714808 -1.424881 -2.178857
H 4.116709 0.510871 -2.790928
H 3.661792 -3.097481 -0.482809
H 4.549505 -1.920818 -2.488618
H -5.727901 0.234477 1.073407
H -6.047559 0.407831 -0.655168
H -6.285728 -1.156272 0.141801


%chk=000186499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186499

0 1
S -0.691835 -0.572166 1.528711
O 1.283086 3.585496 -0.602467
O -1.395248 0.115378 2.840814
O 0.189639 -1.925047 1.736356
N 0.357826 0.712378 0.550669
C -0.022289 2.813092 -0.654592
C -0.381684 2.013898 0.585817
C -0.041250 4.310855 -0.637405
C 1.805938 0.847406 1.018795
C 2.746323 0.017718 0.142842
C -2.083970 -0.871694 0.265174
C 2.010359 0.657417 2.541965
C -1.816186 -1.498107 -0.974781
C -3.356720 -0.470709 0.704764
C 3.427491 0.668145 -0.919402
C 2.976301 -1.365249 0.358380
C -4.479560 -0.680498 -0.133123
C -2.959376 -1.688274 -1.798390
C -0.442208 -1.948518 -1.423546
C -4.251699 -1.289551 -1.393962
C 4.325946 -0.043983 -1.746319
C 3.873609 -2.077230 -0.468045
C 4.553199 -1.421053 -1.521524
C -5.875919 -0.294134 0.319455
H -0.170310 2.287840 -1.606317
H -1.469459 1.811758 0.562609
H -0.170082 2.604466 1.501433
H -0.241991 4.858422 -1.565638
H -0.298456 4.833932 0.292487
H 2.021538 1.910714 0.793876
H 3.046524 0.932016 2.806376
H 1.320945 1.303288 3.115666
H 1.839359 -0.385866 2.854388
H -3.459449 -0.016876 1.697618
H 3.251698 1.737267 -1.095359
H 2.434342 -1.886132 1.154222
H -2.819845 -2.162526 -2.776750
H -0.034597 -2.714340 -0.740188
H -0.483478 -2.366558 -2.442826
H 0.276614 -1.109726 -1.410122
H -5.100606 -1.460146 -2.067252
H 4.848441 0.474369 -2.558562
H 4.041430 -3.145815 -0.290726
H 5.251424 -1.976377 -2.158427
H -5.848227 0.474782 1.110197
H -6.479431 0.096270 -0.519182
H -6.413654 -1.170133 0.730487


