%chk=000005191.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005191

0 1
Cl 3.115023 3.213758 1.614705
O -0.692113 0.111606 -0.014114
O 2.930222 -2.304702 -0.839951
O -0.010873 -2.026979 -0.538978
N -4.422932 0.379922 0.204069
N 5.461794 1.456006 0.779749
C -2.996766 0.739803 0.397896
C -4.919301 -0.566640 1.240532
C -5.309163 1.557061 0.003384
C -2.097344 -0.304423 -0.276823
C -6.109563 -1.418844 0.761208
C -5.156241 2.190026 -1.392725
C 1.644140 -0.351503 0.103835
C 0.291053 -0.877287 -0.184586
C 2.861755 -1.052390 -0.209412
C 1.767964 0.956479 0.661273
C 4.111456 -0.440886 0.012975
C 4.232392 0.864404 0.563544
C 3.013115 1.531885 0.888380
C 2.544061 -3.495911 -0.049686
H -2.720624 0.826108 1.475592
H -2.799554 1.724317 -0.061098
H -4.085576 -1.245193 1.501221
H -5.192760 -0.027975 2.183670
H -5.142493 2.334223 0.792336
H -6.353260 1.214142 0.119169
H -2.255423 -1.323126 0.119245
H -2.266682 -0.325411 -1.367270
H -6.404073 -2.142989 1.543597
H -5.833902 -1.974874 -0.151569
H -6.995549 -0.800694 0.529120
H -5.850729 3.043208 -1.508142
H -5.378450 1.442567 -2.173974
H -4.132129 2.568431 -1.565336
H 0.855769 1.508657 0.895939
H 5.007300 -1.006578 -0.262909
H 6.321289 0.974629 0.532508
H 5.511405 2.391874 1.177308
H 1.474359 -3.458581 0.209514
H 3.178848 -3.569442 0.855181
H 2.739053 -4.349080 -0.716877


%chk=000005191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005191

0 1
Cl 3.158028 3.311923 1.432728
O -0.658700 -0.009386 0.264718
O 3.049507 -2.376856 -0.574921
O 0.080503 -1.762819 -1.070681
N -4.384928 0.329793 0.266154
N 5.512462 1.526634 0.678100
C -2.966172 0.679153 0.526261
C -4.930981 -0.628540 1.265120
C -5.257999 1.510642 0.035034
C -2.048126 -0.343196 -0.155527
C -6.086847 -1.484189 0.712660
C -5.033776 2.157984 -1.344627
C 1.702703 -0.332316 0.093707
C 0.356798 -0.806605 -0.297550
C 2.923491 -1.055350 -0.145181
C 1.823504 0.998525 0.603199
C 4.172617 -0.423439 0.043847
C 4.286207 0.913897 0.500991
C 3.063368 1.592490 0.798291
C 2.155114 -3.434243 -0.061220
H -2.730556 0.721639 1.615475
H -2.749450 1.680464 0.114639
H -4.107838 -1.303463 1.566508
H -5.260201 -0.100436 2.196091
H -5.130182 2.278951 0.839747
H -6.307086 1.168300 0.094621
H -2.277248 -1.379191 0.153742
H -2.127365 -0.288000 -1.254836
H -6.438115 -2.199694 1.479553
H -5.750305 -2.049475 -0.173663
H -6.952142 -0.865945 0.412552
H -5.716192 3.017255 -1.483946
H -5.221772 1.420790 -2.144366
H -3.999878 2.530824 -1.461967
H 0.907811 1.556947 0.807149
H 5.070465 -1.019415 -0.147574
H 6.374294 1.041540 0.447180
H 5.556325 2.479482 1.033306
H 1.260810 -3.515420 -0.696338
H 1.856016 -3.220408 0.982385
H 2.761333 -4.353248 -0.098860


