%chk=000200974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200974

0 1
Cl 8.582778 -1.003775 -0.094885
P 0.524081 -0.057868 0.647969
O 0.607447 -1.696803 0.673055
O -0.702286 0.244990 -0.489618
O 0.269568 0.468075 1.999648
O -6.670506 0.079738 1.471459
O -6.922144 -0.034260 -0.673063
N -6.231553 0.043823 0.332403
C 3.230388 0.321148 0.344373
C 4.420387 0.881354 -0.452935
C 1.914982 0.628088 -0.366186
C 5.752272 0.539188 0.226561
C 6.941062 1.112864 -0.555114
C 8.274084 0.758699 0.085550
C 0.974329 -2.452335 -0.507606
C -2.028799 0.183882 -0.172028
C -0.127597 -2.456897 -1.547858
C -2.559436 0.229470 1.128177
C -2.858764 0.104416 -1.314160
C -3.940000 0.183137 1.286563
C -4.233698 0.062941 -1.144292
C -4.774737 0.096174 0.156854
H 3.244123 0.762843 1.366558
H 3.373409 -0.771703 0.484925
H 4.409124 0.477987 -1.483965
H 4.318221 1.979110 -0.557243
H 1.900342 0.230672 -1.399941
H 1.779318 1.726277 -0.485044
H 5.760422 0.925340 1.264674
H 5.860885 -0.561507 0.315960
H 6.915914 0.746537 -1.602996
H 6.853369 2.217552 -0.622398
H 9.117385 1.284050 -0.400379
H 8.297117 0.982870 1.168215
H 1.115596 -3.459961 -0.055567
H 1.942527 -2.098155 -0.905452
H -1.103954 -2.684457 -1.092620
H -0.240771 -1.494300 -2.065598
H 0.054843 -3.220902 -2.314572
H -1.914814 0.316817 2.015733
H -2.405685 0.087317 -2.303675
H -4.387315 0.216240 2.288289
H -4.907819 0.002523 -2.007068


%chk=000200974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200974

0 1
Cl 8.878418 -0.844796 -0.381447
P 0.592603 -0.142678 0.658282
O 0.765511 -1.861743 0.560759
O -0.688273 0.243572 -0.520293
O 0.332550 0.308306 2.156851
O -6.807643 0.215348 1.361457
O -7.036366 0.352082 -0.905304
N -6.316369 0.278666 0.167242
C 3.381492 0.264827 0.360493
C 4.541413 1.006218 -0.343452
C 2.017371 0.643252 -0.255007
C 5.923193 0.600074 0.215606
C 7.081853 1.345488 -0.480872
C 8.472253 0.966432 0.027540
C 0.826980 -2.596955 -0.738893
C -2.070745 0.235296 -0.268524
C -0.534107 -3.201561 -1.085527
C -2.635065 0.175498 1.033264
C -2.893013 0.317676 -1.421300
C -4.034794 0.187184 1.170232
C -4.289891 0.335157 -1.281307
C -4.847170 0.265498 0.016784
H 3.384793 0.510420 1.440313
H 3.541041 -0.828417 0.283913
H 4.511752 0.793414 -1.432474
H 4.400654 2.101425 -0.232299
H 1.944737 0.343212 -1.315053
H 1.836861 1.731754 -0.197545
H 5.956958 0.802379 1.306006
H 6.069925 -0.490380 0.090668
H 7.035670 1.182185 -1.575039
H 6.966566 2.439504 -0.319547
H 9.272303 1.544386 -0.458802
H 8.558460 1.034307 1.123386
H 1.580746 -3.382119 -0.557669
H 1.192588 -1.931633 -1.546739
H -0.905276 -3.812169 -0.245320
H -1.279615 -2.420524 -1.310158
H -0.437601 -3.855744 -1.972770
H -1.987130 0.133032 1.914025
H -2.420714 0.372861 -2.406044
H -4.506291 0.141740 2.155354
H -4.952531 0.398725 -2.148086


