%chk=000045513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045513

0 1
 Cl  -7.080200       2.076700      -1.185900    
 O    3.500400       2.775900      0.7952000    
 O    5.015200       1.409000      -1.089800    
 N   0.1176000      -2.364600      0.7831000    
 C   0.2539000     -0.9025000      0.9953000    
 C   0.4671000      -2.742200     -0.6023000    
 C    1.915300      -2.373900     -0.9692000    
 C    1.535100     -0.3020000      0.4403000    
 C    2.300500     -0.9878000     -0.5195000    
 C  -0.9757000     -0.1785000      0.4228000    
 C   0.1910000      -4.218700     -0.9077000    
 C   0.8417000      -3.118000       1.810500    
 C   -2.260500     -0.7467000       1.010900    
 C    1.954900      0.9666000      0.8713000    
 C    3.472300     -0.4024000      -1.020600    
 C    3.117400       1.543300      0.3601000    
 C    3.875500      0.8592000     -0.5857000    
 C   -3.470200     -3.7099998E-02  0.4588000    
 C   -3.959600       1.084500       1.111600    
 C   -4.075800     -0.5176000     -0.6931000    
 C   -5.079800       1.740500      0.6012000    
 C   -5.195900      0.1384000      -1.203500    
 C    3.006900       3.901200      7.1000002E-02
 C    6.230900       1.129000     -0.3983000    
 C   -5.697900       1.267600     -0.5564000    
 H   0.2500000     -0.7133000       2.078700    
 H  -0.1988000      -2.184900      -1.273900    
 H    2.031800      -2.444500      -2.058300    
 H    2.617900      -3.086000     -0.5179000    
 H  -0.9972000     -0.2329000     -0.6733000    
 H  -0.9160000      0.8930000      0.6586000    
 H   0.8880000      -4.887400     -0.3926000    
 H  -0.8296000      -4.493400     -0.6196000    
 H   0.2920000      -4.407900      -1.982300    
 H   0.6457000      -4.191400       1.730200    
 H   0.4902000      -2.832000       2.808900    
 H    1.924300      -2.958700       1.778200    
 H   -2.251400     -0.6579000       2.105000    
 H   -2.365900      -1.817700      0.7992000    
 H    1.370700       1.508100       1.612300    
 H    4.074100     -0.9371000      -1.752300    
 H   -3.484100       1.461500       2.012600    
 H   -3.690800      -1.394800      -1.205400    
 H   -5.459800       2.619400       1.115800    
 H   -5.667000     -0.2412000      -2.106600    
 H    1.913600       3.935200      0.1139000    
 H    3.341400       3.866100     -0.9706000    
 H    3.403600       4.808200      0.5353000    
 H    6.182600       1.498200      0.6310000    
 H    7.045500       1.642700     -0.9161000    
 H    6.435700      5.3700000E-02 -0.4030000    


%chk=000045513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045513

0 1
Cl -7.313369 1.943500 -1.323663
O 3.537760 2.761469 0.882666
O 5.111534 1.342489 -1.148929
N 0.111437 -2.438481 0.741639
C 0.241151 -0.972425 0.994312
C 0.413421 -2.771672 -0.687075
C 1.885383 -2.438467 -1.054223
C 1.541118 -0.371094 0.428030
C 2.301402 -1.056847 -0.560471
C -1.011022 -0.199373 0.481865
C 0.044260 -4.224220 -1.035211
C 0.847984 -3.250883 1.738745
C -2.309866 -0.655934 1.197808
C 1.978755 0.899078 0.876037
C 3.487023 -0.458171 -1.053371
C 3.147687 1.498208 0.371348
C 3.928211 0.796853 -0.593379
C -3.556935 -0.027296 0.600360
C -4.144480 1.132561 1.168057
C -4.149193 -0.570404 -0.570546
C -5.284156 1.740531 0.592816
C -5.287663 0.019069 -1.163623
C 3.536289 3.851340 -0.120892
C 6.206555 1.556415 -0.174127
C -5.837021 1.171274 -0.569127
H 0.257744 -0.846229 2.097026
H -0.240160 -2.111194 -1.290568
H 2.022336 -2.507492 -2.150862
H 2.552996 -3.207381 -0.611517
H -1.121264 -0.335622 -0.611224
H -0.852517 0.884601 0.640182
H 0.726273 -4.952012 -0.558445
H -0.986487 -4.446234 -0.706974
H 0.105265 -4.381647 -2.127636
H 0.645910 -4.322614 1.574491
H 0.478432 -2.995781 2.748068
H 1.953755 -3.099400 1.734914
H -2.233249 -0.400038 2.273256
H -2.349013 -1.759322 1.127889
H 1.410053 1.454180 1.631685
H 4.099044 -0.970988 -1.804450
H -3.711303 1.569091 2.076149
H -3.720682 -1.473111 -1.022920
H -5.731916 2.632674 1.040488
H -5.740000 -0.409742 -2.062737
H 2.507981 4.025580 -0.491135
H 4.202833 3.609831 -0.968637
H 3.898186 4.743192 0.413343
H 5.880565 2.218173 0.648389
H 7.022270 2.023213 -0.747210
H 6.543287 0.585653 0.237288


