%chk=000113258.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113258

0 1
 Cl   4.187600      0.9485000      -2.385400    
 O   -7.160300      -1.111100       1.045900    
 O   -3.450200      -2.983400     -0.9741000    
 O    8.791200      -1.465100       1.089700    
 O    8.971700     -0.3965000     -0.8194000    
 N   -5.094100      -1.806500      0.1994000    
 N   -3.190200       1.384100      0.4919000    
 N    2.370300      0.8150000      0.5474000    
 N    2.698200     -0.2494000     -2.7799999E-02
 N   -3.931500       3.898400      -2.122700    
 N    8.277600     -0.8624000      0.1164000    
 C   -4.246100     -0.7896000      0.7916000    
 C   -4.041500      0.3996000     -0.1340000    
 C   -6.981700      -3.040800     -0.3837000    
 C   -5.761800      -3.659300      -1.045900    
 C   -6.456800      -1.863100      0.3857000    
 C   -4.607200      -2.798300     -0.6223000    
 C   -3.812500       2.556800       1.108000    
 C   -1.795900       1.241200      0.5059000    
 C   -3.334200       3.840900      0.4387000    
 C   -1.154300      0.5587000     -0.5277000    
 C   -1.050000       1.781600       1.553300    
 C   0.2332000      0.4168000     -0.5138000    
 C   0.3375000       1.639600       1.567200    
 C   0.9791000      0.9572000      0.5337000    
 C   -3.668600       3.871900     -0.9929000    
 C    4.096300     -0.3918000     -1.3900000E-02
 C    4.887700      0.1182000      -1.043000    
 C    4.690400      -1.057700       1.058300    
 C    6.867200     -0.7031000      7.2200000E-02
 C    6.273100     -3.7300002E-02  -1.000000    
 C    6.075800      -1.213300       1.101400    
 H   -3.282100      -1.251600       1.034500    
 H   -4.701500     -0.4574000       1.732200    
 H   -3.683300      7.8000002E-02  -1.116700    
 H   -5.024600      0.8373000     -0.3554000    
 H   -7.464100      -3.744600      0.3009000    
 H   -7.709500      -2.701600      -1.126700    
 H   -5.851000      -3.647900      -2.136100    
 H   -5.600800      -4.686500     -0.7061000    
 H   -4.905500       2.497000       1.020900    
 H   -3.617400       2.584300       2.186100    
 H   -2.258300       3.996700      0.5636000    
 H   -3.821000       4.690600      0.9326000    
 H   -1.683500      0.1440000      -1.378500    
 H   -1.507500       2.302300       2.388500    
 H   0.6956000     -9.8800004E-02  -1.351900    
 H   0.9109000       2.059900       2.389400    
 H    4.082800      -1.459600       1.865100    
 H    6.872900      0.3677000      -1.812300    
 H    6.503700      -1.737700       1.951900    


%chk=000113258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113258

0 1
Cl 3.962713 -2.626618 -1.646471
O -7.322911 -1.383883 0.846522
O -3.414962 -2.363110 -1.535304
O 9.336733 0.031454 0.589767
O 9.121939 -1.790557 -0.770839
N -5.213142 -1.712801 -0.160539
N -3.201288 1.346887 0.836465
N 2.430293 0.664495 0.726445
N 2.926188 -0.316740 -0.005354
N -5.259899 3.920407 -1.201882
N 8.625102 -0.819034 -0.076594
C -4.431642 -0.839742 0.723911
C -4.111364 0.513515 0.026700
C -7.036835 -2.891430 -1.140237
C -5.742311 -3.222499 -1.924848
C -6.611698 -1.920998 -0.033439
C -4.633877 -2.421361 -1.238626
C -3.808734 2.397396 1.667898
C -1.814872 1.155614 0.797282
C -3.777670 3.816437 1.010657
C -1.236768 0.093443 0.013255
C -0.925317 2.005714 1.536025
C 0.145069 -0.092884 -0.032816
C 0.458839 1.806310 1.487361
C 1.024737 0.761985 0.703175
C -4.592278 3.887015 -0.213414
C 4.345201 -0.390958 0.022002
C 4.969931 -1.438382 -0.720010
C 5.190517 0.515120 0.735172
C 7.155680 -0.668723 -0.039825
C 6.363501 -1.588719 -0.760532
C 6.583807 0.386584 0.711584
H -3.491959 -1.356490 0.984274
H -5.026141 -0.676789 1.639479
H -3.666444 0.322252 -0.964385
H -5.047571 1.071359 -0.142738
H -7.503974 -3.777833 -0.678230
H -7.810372 -2.409027 -1.761817
H -5.791482 -2.932243 -2.988169
H -5.480394 -4.294071 -1.897141
H -4.856775 2.119299 1.871933
H -3.297961 2.457668 2.645500
H -2.736412 4.093363 0.763649
H -4.156967 4.561322 1.736430
H -1.869874 -0.596212 -0.554001
H -1.310659 2.823780 2.150376
H 0.579590 -0.900559 -0.629582
H 1.138124 2.455268 2.049954
H 4.699980 1.313234 1.299778
H 6.840997 -2.389672 -1.329332
H 7.239410 1.073319 1.252627


