%chk=000208534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208534

0 1
S -1.035413 2.380453 -1.186833
O -1.972874 2.241140 -0.082005
O -0.705900 3.724010 -1.634821
O 3.928862 -0.504313 -0.063929
N -3.196354 -0.896796 -0.005371
N -1.657158 1.623511 -2.594649
C -3.962109 0.090911 -0.835650
C -3.578329 -0.024840 -2.319345
C -2.080464 0.205571 -2.584988
C -3.757532 -2.280457 -0.142818
C -3.105627 -0.435675 1.413564
C -2.763539 -3.315177 0.388891
C -4.418951 -0.382477 2.198908
C 0.390938 1.494065 -0.834289
C 1.618205 1.917176 -1.375504
C 0.342151 0.369605 -0.004182
C 2.716360 0.087701 -0.258470
C 2.786659 1.224414 -1.097922
C 1.500467 -0.349013 0.293591
C 4.006483 -1.688114 0.799243
C 5.495541 -2.027001 0.764569
C 5.793301 -3.253272 1.617589
H -3.707659 1.120485 -0.470453
H -5.061609 -0.015580 -0.728099
H -4.188869 0.690134 -2.902944
H -3.849332 -1.031562 -2.697084
H -1.480069 -0.368273 -1.841095
H -1.820295 -0.219058 -3.584274
H -4.738016 -2.400378 0.367463
H -3.937395 -2.470229 -1.225113
H -2.385776 -1.103140 1.933790
H -2.644530 0.586520 1.391564
H -2.208960 2.199757 -3.238024
H -3.078669 -4.330269 0.127206
H -2.669123 -3.265043 1.479290
H -1.763846 -3.152927 -0.032959
H -4.243279 -0.041073 3.225022
H -4.903398 -1.362545 2.255090
H -5.131267 0.316487 1.746607
H 1.651464 2.807776 -2.016548
H -0.617932 0.042090 0.421496
H 3.748225 1.532094 -1.502539
H 1.445854 -1.218647 0.938188
H 3.651720 -1.411137 1.805555
H 3.374617 -2.479596 0.364294
H 6.084389 -1.153496 1.114318
H 5.815901 -2.191904 -0.285165
H 6.863758 -3.495498 1.592331
H 5.254099 -4.140241 1.264041
H 5.523681 -3.097068 2.669063


%chk=000208534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208534

0 1
S -0.864701 2.178509 -0.885111
O -1.744327 1.788768 0.440230
O -0.656034 3.735894 -1.315214
O 4.550441 -0.426703 -0.260851
N -3.868998 -1.021131 -0.088042
N -1.487168 1.409630 -2.447394
C -4.250260 0.143833 -0.929476
C -3.664346 0.038406 -2.358609
C -2.118486 0.063096 -2.402639
C -4.695570 -2.224048 -0.361259
C -3.709473 -0.684299 1.354626
C -4.107858 -3.517823 0.233897
C -5.010763 -0.330289 2.124970
C 0.790853 1.332864 -0.682553
C 1.846261 1.714706 -1.534342
C 0.933313 0.379506 0.335127
C 3.269743 0.118160 -0.341946
C 3.095403 1.098044 -1.358030
C 2.190131 -0.240390 0.508224
C 4.817351 -1.446797 0.777066
C 6.284504 -1.856286 0.635058
C 6.675391 -2.933854 1.670217
H -3.855150 1.054263 -0.442671
H -5.358909 0.264487 -1.006191
H -4.075400 0.853938 -2.990316
H -4.003084 -0.907475 -2.825562
H -1.742311 -0.496199 -1.523852
H -1.750965 -0.463934 -3.305022
H -5.749975 -2.097960 -0.005726
H -4.756485 -2.343402 -1.459790
H -3.211728 -1.536453 1.855283
H -3.009922 0.169502 1.405092
H -2.060561 2.149778 -2.891639
H -4.697792 -4.392478 -0.097175
H -4.118250 -3.508430 1.338507
H -3.063053 -3.651473 -0.099616
H -4.766969 -0.061218 3.169665
H -5.721847 -1.176735 2.153087
H -5.522961 0.535655 1.667244
H 1.693308 2.479839 -2.301315
H 0.085079 0.142888 0.985791
H 3.950783 1.356584 -1.988461
H 2.313482 -0.984894 1.298862
H 4.619008 -1.013538 1.779373
H 4.143535 -2.315125 0.622145
H 6.918997 -0.959096 0.757653
H 6.452569 -2.231792 -0.391287
H 7.736734 -3.215278 1.555858
H 6.070122 -3.851581 1.547203
H 6.534741 -2.570571 2.705514


