%chk=000216855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216855

0 1
Cl 0.394929 2.317476 -1.722409
S 1.912201 -0.997477 1.027228
P -3.122861 -1.115044 -0.874729
O -4.689518 -1.344152 -0.375993
O -2.980276 -0.911180 -2.333888
O 0.968974 -1.820849 -0.116089
O 2.673741 -1.986875 1.738942
O 0.969550 -0.173458 1.748760
N -2.522711 0.209149 0.078368
N -2.390098 -2.602330 -0.255972
C -2.837394 0.112151 1.532430
C -4.362121 -0.014378 1.689134
C -4.910203 -1.291135 1.054478
C -1.146530 0.664245 -0.257615
C -1.030988 -2.901875 -0.776658
C -0.021408 -2.748166 0.378035
C -1.256097 1.657585 -1.418061
C 4.266745 0.195442 0.445829
C 2.859540 -0.067313 -0.094605
C 5.125986 0.943991 -0.583305
C 6.535484 1.215200 -0.038461
C 7.396762 1.957622 -1.056847
H -2.308076 -0.725971 2.042675
H -2.486344 1.044465 2.034977
H -4.854796 0.871985 1.229971
H -4.628779 0.016497 2.763414
H -6.018558 -1.330134 1.103580
H -4.494781 -2.207143 1.516785
H -0.448574 -0.165163 -0.527539
H -0.673453 1.151842 0.633037
H -2.992503 -3.442602 -0.276680
H -0.711964 -2.240882 -1.623392
H -0.979081 -3.933319 -1.189116
H 0.503077 -3.692456 0.608806
H -0.495389 -2.343949 1.294054
H -1.606797 1.182988 -2.360238
H -1.923894 2.506347 -1.184592
H 4.759996 -0.764401 0.716307
H 4.215052 0.788235 1.382940
H 2.924205 -0.570607 -1.088452
H 2.364275 0.902697 -0.345802
H 5.193516 0.359367 -1.521339
H 4.640938 1.900247 -0.861445
H 7.024448 0.260076 0.238432
H 6.472683 1.805070 0.897410
H 8.400828 2.149107 -0.660625
H 6.961837 2.927245 -1.326010
H 7.515526 1.383831 -1.983231


%chk=000216855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216855

0 1
Cl 1.156404 2.689803 -1.494438
S 1.898174 -1.980821 1.135248
P -2.577055 -1.079120 -0.933508
O -4.231811 -0.774387 -0.446167
O -2.229805 -0.949269 -2.480307
O 0.564779 -2.446530 -0.114888
O 2.580769 -3.337230 1.705478
O 1.265902 -0.919364 2.188472
N -1.696806 0.086519 0.007514
N -2.462389 -2.698572 -0.282158
C -2.099957 0.328237 1.414301
C -3.594764 0.706625 1.499465
C -4.500858 -0.420731 0.977673
C -0.402349 0.592621 -0.479585
C -1.422367 -3.654272 -0.697392
C -0.188922 -3.672328 0.225434
C -0.567873 2.008319 -1.048588
C 3.803135 0.064117 0.493181
C 3.034732 -1.079415 -0.159681
C 4.615264 0.834399 -0.582588
C 5.388008 2.027209 0.027646
C 6.205396 2.800525 -1.028760
H -1.884608 -0.562227 2.043556
H -1.475269 1.150241 1.805226
H -3.773251 1.627443 0.914689
H -3.867014 0.909374 2.554248
H -5.562476 -0.124069 0.976564
H -4.380758 -1.329064 1.605561
H -0.021244 -0.072541 -1.272885
H 0.321830 0.591347 0.356266
H -3.355537 -3.094658 0.018452
H -1.095334 -3.445618 -1.734489
H -1.857149 -4.672022 -0.693953
H 0.438818 -4.562767 0.030047
H -0.506553 -3.661747 1.284651
H -1.142779 2.013442 -1.985316
H -0.978137 2.721841 -0.318349
H 4.486894 -0.319568 1.274042
H 3.097429 0.761669 0.981344
H 3.656714 -1.909304 -0.531741
H 2.312831 -0.746757 -0.921444
H 5.331053 0.149174 -1.081025
H 3.925071 1.210350 -1.364248
H 6.064269 1.658661 0.825369
H 4.667191 2.712931 0.515766
H 6.747374 3.648612 -0.572286
H 5.547927 3.206621 -1.819951
H 6.952200 2.144299 -1.513949


