%chk=000093923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093923

0 1
 Cl   3.095500       1.457500       2.692900    
 O   -2.523600       2.610900      0.6554000    
 O   -6.318000      -1.040100       1.384000    
 O   -4.613200       2.376700      -1.987500    
 O   -2.389900      -3.781500     -0.5599000    
 O    8.019500     -0.4370000     -0.6601000    
 O    8.003200      0.2768000       1.415700    
 N   -4.276800      0.4781000      0.1066000    
 N  -0.4669000      -2.480300     -0.1538000    
 N    1.267000     -0.3079000      0.4002000    
 N    1.851800      0.7400000      4.5499999E-02
 N    7.409700       0.000000      0.3456000    
 N    2.723900     -0.5028000      -3.198900    
 C   -2.879900      0.2860000      0.1808000    
 C   -5.010200      0.9704000       1.254800    
 C   -4.994500      0.1720000      -1.113900    
 C   -2.028900       1.357000      0.4535000    
 C   -2.353100     -0.9898000     -2.0700000E-02
 C   -5.451400     -0.1923000       2.127400    
 C   -4.437200      0.9930000      -2.264300    
 C  -0.9752000      -1.194600      5.0799999E-02
 C  -0.6509000       1.152200      0.5249000    
 C  -0.1242000     -0.1237000      0.3237000    
 C   -1.176200      -3.653900     -0.4348000    
 C   -1.578700       3.643400      0.9281000    
 C   -6.763000      -2.141900       2.163000    
 C   -4.111300       3.186800      -3.041400    
 C  -0.2555000      -4.838700     -0.5870000    
 C    3.242400      0.5555000      0.1222000    
 C    3.941800      7.1000002E-02 -0.9833000    
 C    3.923900      0.8560000       1.301600    
 C    5.322500     -0.1127000     -0.9095000    
 C    6.004000      0.1877000      0.2700000    
 C    5.304700      0.6719000       1.375500    
 C    3.269100     -0.2459000      -2.207100    
 H   -4.420100       1.662400       1.863900    
 H   -5.891100       1.531500      0.9191000    
 H   -4.928100     -0.8969000      -1.346200    
 H   -6.060500      0.4037000     -0.9999000    
 H   -3.064600      -1.779500     -0.2123000    
 H   -5.985200      0.1940000       3.003500    
 H   -4.583500     -0.7665000       2.473000    
 H   -4.986700      0.7392000      -3.178900    
 H   -3.376600      0.7793000      -2.440100    
 H   2.9700000E-02   1.959300      0.7691000    
 H   0.5459000      -2.558900     -8.7499999E-02
 H   -2.146700       4.571700       1.051200    
 H  -0.8965000       3.802700      8.5800000E-02
 H   -1.051100       3.470900       1.872500    
 H   -5.913900      -2.755000       2.480100    
 H   -7.324300      -1.793800       3.035500    
 H   -7.424100      -2.755400       1.544900    
 H   -3.036500       3.025700      -3.169600    
 H   -4.639600       2.973200      -3.975600    
 H   -4.277100       4.234900      -2.778200    
 H   0.4309000      -4.668500      -1.421100    
 H   0.3166000      -4.984600      0.3336000    
 H  -0.8413000      -5.740100     -0.7869000    
 H    5.850400     -0.4916000      -1.782700    
 H    5.817800      0.9118000       2.304400    


%chk=000093923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093923

0 1
Cl 3.707531 2.353289 2.729318
O -2.545543 2.015437 1.841347
O -6.506724 0.127564 1.850355
O -5.866242 0.937141 -2.352789
O -1.862633 -2.703754 -2.710767
O 8.409993 -1.114765 0.128124
O 8.570840 0.550281 1.689046
N -4.125403 0.405225 0.035429
N -0.041200 -1.779265 -1.546173
N 1.482447 -0.225085 0.086263
N 2.222662 0.553909 0.886527
N 7.886831 -0.211840 0.895727
N 3.054029 -2.326512 -1.690808
C -2.748363 0.301843 0.096548
C -4.943318 1.512469 0.605263
C -4.923644 -0.594017 -0.728395
C -1.897347 1.116503 0.976393
C -2.088400 -0.670195 -0.723117
C -5.519576 1.203593 1.993007
C -5.057667 -0.280323 -2.226930
C -0.696024 -0.842991 -0.729753
C -0.519604 0.951988 0.968537
C 0.124428 -0.012833 0.129000
C -0.615098 -2.658140 -2.478628
C -1.701730 2.795102 2.757342
C -7.109594 -0.248041 3.127886
C -6.062320 1.330527 -3.747810
C 0.385745 -3.555603 -3.189955
C 3.590791 0.298530 0.819492
C 4.250285 -0.692004 -0.014343
C 4.446876 1.090715 1.658553
C 5.653732 -0.852365 0.015925
C 6.427169 -0.040936 0.866063
C 5.832724 0.940388 1.696634
C 3.521378 -1.551095 -0.906239
H -4.337550 2.425430 0.669026
H -5.767793 1.686656 -0.106785
H -4.486421 -1.598681 -0.599977
H -5.925831 -0.610778 -0.270180
H -2.653971 -1.300341 -1.404934
H -6.011314 2.121957 2.387505
H -4.712658 0.904772 2.692953
H -5.565742 -1.135433 -2.725597
H -4.068385 -0.136394 -2.708736
H 0.140301 1.535024 1.615608
H 0.986401 -1.810748 -1.447300
H -2.404530 3.407793 3.340408
H -1.005554 3.446900 2.197237
H -1.128950 2.129432 3.429889
H -6.345702 -0.615525 3.845345
H -7.650311 0.607030 3.586615
H -7.824744 -1.056027 2.908532
H -5.094928 1.543288 -4.249423
H -6.595634 0.541323 -4.318544
H -6.675069 2.245218 -3.728686
H 1.156558 -2.962640 -3.711665
H 0.923359 -4.198413 -2.471044
H -0.157010 -4.181457 -3.912047
H 6.149328 -1.597662 -0.611788
H 6.463320 1.553836 2.344117


