%chk=000229246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229246

0 1
Cl 5.769642 -0.961440 1.811818
Cl 5.153649 -2.491804 -0.827405
S 0.098282 2.360969 0.308160
O -0.208937 3.595628 0.979756
O 0.143815 2.271551 -1.127932
O -5.360989 0.817940 0.377399
O -3.600718 -2.796556 -1.912248
N -2.671094 -1.442872 -0.220847
N -4.817781 -1.036222 -0.922649
N 1.634145 1.920939 0.972052
C -3.092542 -0.194405 0.479546
C -2.251627 1.041224 0.133483
C -0.939587 1.067633 0.910873
C -4.566451 -0.009506 0.021997
C -3.667665 -1.876752 -1.139269
C 2.486814 0.897520 0.492406
C 3.602792 0.534681 1.281127
C 2.225325 0.219384 -0.716645
C 4.417353 -0.511337 0.856888
C 3.053832 -0.825936 -1.120329
C 4.146585 -1.201157 -0.331331
H -3.081309 -0.390639 1.585857
H -2.852807 1.954410 0.364234
H -2.062717 1.080115 -0.965522
H -1.145275 1.192686 1.997865
H -0.433080 0.079921 0.856272
H -1.688930 -1.582217 -0.436386
H -5.712003 -1.194750 -1.381608
H 2.045413 2.533471 1.693883
H 3.829440 1.060020 2.208070
H 1.414789 0.536536 -1.382140
H 2.856937 -1.349633 -2.059577


%chk=000229246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229246

0 1
Cl 6.089956 -0.863151 1.776051
Cl 5.443324 -2.430800 -1.052802
S 0.134215 2.405116 0.388855
O -0.230392 3.691651 1.307580
O 0.167747 2.502459 -1.233063
O -5.420682 1.075363 -0.048515
O -3.786621 -3.072021 -1.602840
N -2.881882 -1.437212 -0.122042
N -4.898631 -1.031461 -1.021775
N 1.716211 1.834015 1.105693
C -3.287261 -0.145870 0.451432
C -2.348362 1.049309 0.130371
C -1.015728 0.913874 0.863475
C -4.678493 0.081732 -0.209357
C -3.829852 -1.986578 -0.985020
C 2.583926 0.867066 0.543142
C 3.751324 0.525809 1.279469
C 2.314697 0.204934 -0.686094
C 4.619980 -0.469100 0.795835
C 3.192898 -0.796607 -1.145983
C 4.345269 -1.143911 -0.412804
H -3.436312 -0.215776 1.548002
H -2.874149 1.971612 0.440274
H -2.181961 1.099417 -0.960990
H -1.079022 1.004469 1.959588
H -0.422222 0.034208 0.563916
H -2.056912 -1.970161 0.145860
H -5.727056 -1.171863 -1.600888
H 2.080200 2.547931 1.748091
H 3.977405 1.018252 2.230274
H 1.469151 0.506697 -1.311182
H 2.994540 -1.300005 -2.096753


