%chk=000216848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216848

0 1
Cl 0.614632 3.813012 1.905105
S -2.690493 -0.387825 1.174013
P 2.357261 -0.164292 -0.936948
O 3.363198 -1.477567 -0.834012
O 2.588620 0.677174 -2.130750
O -2.700361 0.137991 -0.425239
O -1.654336 0.361309 1.846025
O -2.579294 -1.824580 1.138174
N 0.730740 -0.794072 -0.808382
N 2.701224 0.630110 0.605293
C 0.582881 -1.757918 0.325292
C 1.575879 -2.910691 0.107747
C -0.296989 0.278523 -0.890396
C 3.030343 -2.453583 0.183607
C -1.652148 -0.322049 -1.299291
C 2.253085 2.044968 0.701701
C 1.117214 2.098024 1.729733
C -4.270152 0.145322 1.627215
H 0.717014 -1.289277 1.328558
H -0.457282 -2.171368 0.322382
H 1.381641 -3.383676 -0.881086
H 1.389538 -3.702818 0.859756
H 0.011007 1.019791 -1.673210
H -0.411123 0.866056 0.064961
H 3.733701 -3.275116 -0.066579
H 3.295015 -2.040360 1.175769
H 3.654324 0.510903 0.984095
H -1.652929 -1.429842 -1.320053
H -1.990824 0.054120 -2.284944
H 3.087998 2.708395 1.026613
H 1.913552 2.473892 -0.272455
H 0.219573 1.508319 1.420085
H 1.428490 1.727039 2.722076
H -4.800480 0.668475 0.809183
H -4.268235 0.861075 2.467525
H -4.943687 -0.674164 1.929139


%chk=000216848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216848

0 1
Cl 3.760216 3.581861 2.841667
S -3.918371 -0.639636 0.763772
P 1.792422 0.145189 -1.014096
O 2.422439 -1.475029 -1.254354
O 1.225791 0.792898 -2.351895
O -3.056105 -0.175751 -0.847240
O -4.010146 0.635342 1.755256
O -3.247481 -2.021766 1.295349
N 0.591689 0.016067 0.231937
N 3.170025 0.858765 -0.212196
C 0.820901 -0.973803 1.324706
C 1.273466 -2.361139 0.802057
C -0.778676 0.499576 -0.038614
C 2.580442 -2.288577 -0.009982
C -1.622684 -0.537934 -0.816922
C 3.085708 2.128320 0.538758
C 3.823448 1.958991 1.874493
C -5.602141 -0.958133 -0.044158
H 1.583207 -0.577318 2.025993
H -0.125177 -1.072831 1.885874
H 0.476889 -2.803758 0.176147
H 1.434571 -3.035530 1.666070
H -0.725789 1.435262 -0.620284
H -1.257205 0.732955 0.931538
H 2.886904 -3.279646 -0.381918
H 3.397003 -1.854146 0.602090
H 4.073291 0.653306 -0.650414
H -1.506808 -1.553196 -0.388194
H -1.336825 -0.558022 -1.884503
H 3.513117 2.977476 -0.028255
H 2.022910 2.356164 0.731490
H 3.347283 1.199928 2.511551
H 4.893254 1.737082 1.739325
H -5.859186 -0.029295 -0.570079
H -6.296135 -1.187291 0.776154
H -5.453648 -1.801083 -0.730421


