%chk=000216824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216824

0 1
S -1.403585 -2.493312 1.105117
S -4.204034 -2.132335 -0.881063
P -2.597306 -1.378985 -0.172110
O 1.416133 -2.415618 0.492400
O -1.442200 -0.885121 -1.237136
O -2.764406 0.007714 0.727699
N 1.662541 -0.158175 0.534392
C 2.820644 -0.248076 -0.400122
C 1.233549 1.203511 0.936459
C 4.150068 -0.139995 0.363901
C 0.046200 1.713235 0.103993
C 5.341072 -0.196730 -0.601329
C -0.027313 3.243695 0.109397
C 0.988194 -1.335300 0.865364
C -0.242034 -1.243379 1.743399
C 6.670717 -0.088078 0.141198
C -1.259564 3.746405 -0.638687
C -1.869354 -0.377366 -2.541160
C -4.073109 0.657439 0.768656
C -0.571035 0.148168 -3.125613
C -3.774513 1.994668 1.419691
H 2.734918 0.549046 -1.168276
H 2.771392 -1.228063 -0.938087
H 2.104679 1.890765 0.829484
H 0.979766 1.207453 2.019517
H 4.184144 0.792520 0.956866
H 4.220615 -0.965638 1.101085
H 0.114599 1.332749 -0.943529
H -0.905718 1.283950 0.487272
H 5.263880 0.615840 -1.349746
H 5.313108 -1.144466 -1.176275
H 0.886744 3.669988 -0.349521
H -0.046918 3.618982 1.151755
H 0.013081 -1.543901 2.782992
H -0.696553 -0.233436 1.819496
H 6.751770 0.854530 0.693712
H 7.516903 -0.135989 -0.553670
H 6.795829 -0.903290 0.863959
H -1.255784 3.427450 -1.686958
H -1.315437 4.840251 -0.626383
H -2.188665 3.359967 -0.182826
H -2.620567 0.421970 -2.411910
H -2.287562 -1.217032 -3.129895
H -4.748213 0.032763 1.385699
H -4.483034 0.774373 -0.251218
H -0.074331 0.831372 -2.408198
H 0.138718 -0.669815 -3.313999
H -0.735149 0.685505 -4.064526
H -3.270209 1.861015 2.386355
H -3.097525 2.606081 0.792302
H -4.691645 2.568698 1.592777


%chk=000216824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216824

0 1
S -1.356361 -2.581888 0.845697
S -4.525767 -2.208733 -1.028027
P -2.755740 -1.327025 -0.433598
O 1.690317 -2.382407 0.344701
O -1.648386 -0.760688 -1.639988
O -2.909963 0.200023 0.429620
N 1.795691 -0.058299 0.376574
C 3.092846 -0.107977 -0.343620
C 1.283717 1.279512 0.758738
C 4.307474 -0.202613 0.607845
C 0.364096 1.920740 -0.307167
C 5.648176 -0.218402 -0.160662
C -0.191553 3.290891 0.141327
C 1.168783 -1.265115 0.652509
C -0.165649 -1.211498 1.411620
C 6.870044 -0.304784 0.779064
C -1.167198 3.894333 -0.892077
C -2.205228 -0.045398 -2.831576
C -4.002595 0.326475 1.436181
C -1.059237 0.059651 -3.832432
C -4.018220 1.789323 1.872197
H 3.169455 0.799900 -0.973544
H 3.077156 -0.991456 -1.005106
H 2.161689 1.931275 0.934176
H 0.752673 1.219927 1.726837
H 4.298070 0.651536 1.316485
H 4.209837 -1.126728 1.208628
H 0.931518 2.037778 -1.253229
H -0.473681 1.232160 -0.523904
H 5.726834 0.694398 -0.787213
H 5.655889 -1.079281 -0.859064
H 0.644600 3.996870 0.324443
H -0.718456 3.169374 1.110615
H 0.014603 -1.438160 2.477735
H -0.713570 -0.260674 1.335766
H 6.902944 0.560273 1.468175
H 7.817570 -0.320224 0.209922
H 6.830217 -1.222753 1.394652
H -0.671335 4.039995 -1.870357
H -1.554468 4.875183 -0.560542
H -2.031490 3.220978 -1.046077
H -2.567309 0.948897 -2.506973
H -3.054782 -0.630611 -3.232581
H -3.789564 -0.352747 2.284809
H -4.957412 0.022238 0.966930
H -0.212443 0.619495 -3.400305
H -0.704036 -0.943000 -4.122732
H -1.404242 0.589888 -4.739648
H -3.053179 2.078334 2.323721
H -4.214328 2.450780 1.011091
H -4.814507 1.946236 2.623065


