%chk=000205937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205937

0 1
S -2.296654 2.181926 -1.902857
O 1.873897 -0.665496 -2.214790
N 0.222182 0.405872 -1.061599
C 0.442323 1.701224 -1.749816
C 0.601924 2.835018 -0.711574
C -0.699361 1.978869 -2.735076
C 1.727314 2.554131 0.245999
C 1.063183 -0.681827 -1.302064
C 3.061498 2.651533 -0.179479
C 1.448101 2.184775 1.570775
C -3.102497 0.550149 -1.993032
C 0.851907 -1.850744 -0.386667
C -3.190077 -0.005515 -0.610426
C 4.102035 2.381220 0.712362
C 2.493639 1.918366 2.459307
C 3.821506 2.014931 2.033147
C 0.542173 -3.101436 -0.936022
C 1.003285 -1.699145 0.997596
C -2.517641 -1.192622 -0.281280
C -3.953452 0.651244 0.369833
C -2.594400 -1.707387 1.016001
C -4.028793 0.130028 1.663067
C 0.360384 -4.200335 -0.091685
C 0.826174 -2.803947 1.835685
C -3.348476 -1.048231 1.990556
C 0.500401 -4.051273 1.292424
H 1.401154 1.614755 -2.346252
H -0.349012 2.993085 -0.158106
H 0.782710 3.793485 -1.240260
H -0.512723 2.922605 -3.287681
H -0.748481 1.180732 -3.500776
H -0.469720 0.392675 -0.312403
H 3.288198 2.929479 -1.206919
H 0.417184 2.109901 1.910455
H -4.111925 0.707047 -2.429576
H -2.568330 -0.122464 -2.689907
H 5.135500 2.452952 0.376072
H 2.272107 1.637085 3.487306
H 4.634206 1.805492 2.724907
H 0.457485 -3.214794 -2.017679
H 1.269261 -0.726868 1.418056
H -1.932918 -1.720018 -1.034090
H -4.483550 1.570698 0.124906
H -2.058832 -2.624470 1.263887
H -4.620460 0.643445 2.419687
H 0.118220 -5.174682 -0.513442
H 0.947195 -2.692805 2.912064
H -3.409203 -1.450277 2.999392
H 0.363262 -4.910587 1.947772


%chk=000205937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205937

0 1
S -2.348987 1.988180 -2.610584
O 1.418832 -0.963720 -2.866518
N 0.360572 0.146156 -1.124230
C 0.448511 1.459078 -1.791729
C 0.302019 2.605426 -0.757122
C -0.535522 1.580752 -2.984278
C 1.298669 2.518909 0.390543
C 0.918069 -0.984892 -1.692399
C 2.678304 2.777332 0.180800
C 0.868944 2.159730 1.694346
C -3.023886 0.377440 -1.846007
C 0.897907 -2.242948 -0.861726
C -2.973185 0.306694 -0.329937
C 3.604370 2.675100 1.241874
C 1.793075 2.055187 2.760181
C 3.165152 2.311199 2.536961
C 0.948279 -3.484184 -1.546197
C 0.876228 -2.231579 0.557900
C -2.541356 -0.881808 0.314475
C -3.396761 1.398666 0.473125
C -2.533131 -0.979054 1.726663
C -3.391921 1.303381 1.881955
C 0.945527 -4.697045 -0.826423
C 0.882937 -3.447077 1.277814
C -2.958427 0.113378 2.515821
C 0.908554 -4.681980 0.588665
H 1.459062 1.500251 -2.248691
H -0.734179 2.602383 -0.370777
H 0.424596 3.556786 -1.309941
H -0.231912 2.426757 -3.627704
H -0.497671 0.659816 -3.588401
H -0.130678 0.083651 -0.229890
H 3.029372 3.062217 -0.819319
H -0.197659 1.972990 1.878163
H -4.069295 0.354087 -2.202876
H -2.486626 -0.464809 -2.312719
H 4.665888 2.879579 1.061654
H 1.441895 1.781048 3.761731
H 3.883240 2.232873 3.360943
H 1.001495 -3.469240 -2.639820
H 0.895683 -1.283391 1.108358
H -2.218144 -1.739646 -0.287648
H -3.715385 2.327546 -0.014340
H -2.192988 -1.906346 2.201553
H -3.726578 2.154660 2.485740
H 0.978234 -5.651248 -1.363706
H 0.883542 -3.430314 2.373423
H -2.955975 0.039484 3.609030
H 0.913210 -5.623654 1.149063


