%chk=000218515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218515

0 1
Cl -4.671079 3.140574 -0.637392
S 3.385020 -0.394306 -0.617009
P -1.967629 -0.649823 0.981892
O -1.417675 -2.204524 0.849773
O -3.129776 -0.523450 1.891157
O 2.965670 0.519967 0.728455
O 3.579449 0.494025 -1.728511
O 2.384160 -1.439057 -0.722266
N -2.286434 -0.100568 -0.641473
N -0.629788 0.309874 1.607828
C -1.369188 -0.592008 -1.704754
C -1.298208 -2.123505 -1.626298
C -0.664973 -2.592896 -0.322583
C -2.682994 1.332224 -0.744428
C 0.761455 -0.149911 1.427048
C 1.614145 1.024253 0.880677
C -4.155786 1.447153 -0.331907
C 1.102146 1.620331 -0.414898
C 4.888956 -1.013943 -0.024776
H -1.781614 -0.289777 -2.695908
H -0.341444 -0.142151 -1.643353
H -0.713460 -2.512948 -2.484222
H -2.318319 -2.554151 -1.734256
H 0.384557 -2.220394 -0.200558
H -0.670168 -3.697888 -0.230096
H -2.053461 2.019526 -0.130742
H -2.564706 1.680199 -1.798082
H -0.779597 0.704781 2.554588
H 0.844326 -1.022455 0.722490
H 1.214858 -0.508183 2.379063
H 1.766145 1.809227 1.659703
H -4.806965 0.775164 -0.921684
H -4.327059 1.225770 0.744964
H 0.261036 2.300409 -0.215172
H 0.722188 0.859690 -1.121302
H 1.877338 2.200264 -0.938570
H 5.153954 -0.620598 0.973903
H 5.749494 -0.764438 -0.668165
H 4.900726 -2.110857 0.083665


%chk=000218515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218515

0 1
Cl -4.215000 2.903073 -1.710163
S 3.509189 0.359877 -0.860090
P -1.735248 -0.658700 1.095609
O -1.230868 -2.318367 0.888749
O -3.101018 -0.340371 1.858460
O 3.214124 0.737617 0.954009
O 3.727406 1.722038 -1.704663
O 2.453384 -0.749109 -1.407018
N -1.630452 -0.149990 -0.568865
N -0.377439 -0.005916 1.935953
C -1.400596 -1.169513 -1.629287
C -2.283560 -2.422719 -1.410157
C -1.851924 -3.194890 -0.141698
C -2.134287 1.190311 -0.929784
C 1.003630 -0.223218 1.480575
C 1.814956 1.093869 1.354183
C -3.657484 1.179601 -1.153702
C 1.182431 2.157611 0.450027
C 5.187969 -0.450459 -0.508365
H -1.650276 -0.697048 -2.596097
H -0.328803 -1.447849 -1.665556
H -2.211069 -3.098646 -2.283426
H -3.337269 -2.097573 -1.324973
H -1.047944 -3.916857 -0.365699
H -2.701140 -3.732072 0.317976
H -1.893763 1.903698 -0.120940
H -1.611135 1.539187 -1.839076
H -0.538474 0.216225 2.920974
H 0.972002 -0.706650 0.489522
H 1.546130 -0.910543 2.158791
H 2.006502 1.524986 2.358872
H -3.961805 0.498374 -1.963073
H -4.200892 0.961892 -0.222517
H 0.247664 2.515385 0.913612
H 0.930118 1.742027 -0.541877
H 1.865248 3.012509 0.314384
H 5.786794 0.311643 0.006450
H 5.599479 -0.722960 -1.489948
H 4.978722 -1.320871 0.125627


