%chk=000246027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246027

0 1
S -2.850146 -0.646710 -1.431366
O -2.786148 -1.685659 -0.427623
O -2.364846 -0.902816 -2.769391
O 5.086834 -2.474514 -0.084029
O 5.676366 2.033165 1.063761
O -4.695723 0.761065 0.439586
O -6.408906 -0.620259 -0.099697
N 3.391392 0.083253 0.560365
C -2.135322 0.836709 -0.815447
C 2.031122 0.206410 0.155496
C -0.692921 0.612304 -0.488088
C 3.769368 -1.130599 1.332928
C 4.450605 0.505241 -0.404675
C 1.007548 -0.441443 0.890297
C 1.659447 1.058727 -0.908545
C -0.329375 -0.237287 0.571476
C 0.315233 1.254798 -1.219983
C -4.584504 -0.231442 -1.661291
C 3.773383 -2.430327 0.512696
C 4.856302 1.958550 -0.108556
C -5.360983 -0.115323 -0.405459
C -5.262776 0.954493 1.764035
H -2.667538 1.200819 0.100063
H -2.246433 1.679753 -1.528239
H 3.086401 -1.230734 2.206939
H 4.795423 -0.966978 1.748123
H 4.128303 0.397089 -1.462549
H 5.346503 -0.159244 -0.302237
H 1.257367 -1.101667 1.718932
H 2.413432 1.571594 -1.500542
H -1.104449 -0.764747 1.137087
H 0.053877 1.910777 -2.050534
H -5.060060 -1.011906 -2.308539
H -4.698944 0.688252 -2.273186
H 3.008483 -2.435455 -0.284137
H 3.648370 -3.319377 1.155924
H 3.981242 2.620220 0.025121
H 5.518292 2.360780 -0.898583
H 5.164145 -3.248594 -0.674033
H 5.176398 1.694822 1.837554
H -6.353747 1.041723 1.705287
H -4.973610 0.100802 2.386590
H -4.795508 1.885434 2.100168


%chk=000246027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246027

0 1
S -2.836195 -0.129379 -1.876999
O -2.467511 -1.544146 -1.144027
O -2.510079 0.073500 -3.469569
O 4.480704 -2.844605 0.113050
O 5.683002 1.836548 0.933130
O -4.873969 0.432994 0.617847
O -6.049903 -1.399572 -0.233163
N 3.448592 -0.050835 0.345274
C -1.969173 1.493825 -0.754461
C 2.131064 0.336538 0.086160
C -0.590260 1.140450 -0.454670
C 3.767450 -0.977865 1.451417
C 4.545587 0.242498 -0.610089
C 1.050339 -0.048644 0.951635
C 1.801457 1.139024 -1.059650
C -0.265243 0.341990 0.681988
C 0.480106 1.513540 -1.322094
C -4.838328 0.111495 -1.740625
C 3.486590 -2.454291 1.125026
C 5.137038 1.655872 -0.419256
C -5.340863 -0.388806 -0.425373
C -5.254454 -0.008213 1.982482
H -2.691358 1.484254 0.073326
H -2.137993 2.288668 -1.494857
H 3.213943 -0.691539 2.364514
H 4.842062 -0.877854 1.682687
H 4.200952 0.107056 -1.653299
H 5.333865 -0.507464 -0.441274
H 1.236140 -0.674102 1.828427
H 2.581952 1.458328 -1.754293
H -1.069478 0.008107 1.347526
H 0.260713 2.104924 -2.218833
H -5.208779 -0.477145 -2.590488
H -4.955179 1.195387 -1.884210
H 2.453351 -2.577282 0.742726
H 3.606211 -3.059947 2.049173
H 4.386037 2.440719 -0.644304
H 5.998347 1.787492 -1.095551
H 4.243959 -3.723168 -0.274067
H 4.927836 1.810963 1.574915
H -6.352273 -0.020898 2.084557
H -4.859750 -1.019796 2.174517
H -4.802610 0.733080 2.656474


