%chk=000130585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130585

0 1
 Cl   7.528900      -2.341700      -1.019300    
 O    5.680000     -9.4400004E-02   1.436800    
 O    3.900300       2.698100      -1.840900    
 O    5.693600       3.610200     -0.8081000    
 O    2.905000      0.5822000       2.256000    
 N    3.448700      0.9095000      2.5699999E-02
 N   -1.751000      -2.810100     -0.4772000    
 N    6.424900      -1.252500       1.098700    
 N   -3.568300     -0.2179000     -0.8794000    
 N   -5.923100      -1.368200      9.3000000E-03
 N   -6.737900      0.7181000      0.5965000    
 N   -5.426300       2.695900      0.2518000    
 N   -3.271600       2.517100     -0.7002000    
 N   -7.566300       2.831600       1.192600    
 C    5.858300      0.8572000      0.3740000    
 C    4.619800       1.724500      0.2566000    
 C    6.116800      1.7800000E-02 -0.8572000    
 C    6.666800      -1.163400     -0.1647000    
 C    4.804800       2.765600     -0.8347000    
 C    2.656800      0.3843000       1.053500    
 C    1.523900     -0.4382000      0.6593000    
 C  -0.6591000      -2.020500     -9.8800004E-02
 C   -2.667800      -2.378700      -1.512000    
 C    1.041800      -1.421400       1.523300    
 C   0.9188000     -0.2431000     -0.5823000    
 C  -4.5499999E-02  -2.209400       1.145700    
 C  -0.1684000      -1.031100     -0.9597000    
 C   -3.761300      -1.544400     -0.9454000    
 C   -1.997600      -4.091900      0.1806000    
 C   -4.925500      -2.112300     -0.5059000    
 C   -4.566800      0.5247000     -0.3641000    
 C   -5.760400     -4.1999999E-02  8.8200003E-02
 C   -4.467700       1.898300     -0.2525000    
 C   -6.524500       2.046100      0.6537000    
 H    6.739500       1.465000      0.6171000    
 H    4.452600       2.266300       1.195300    
 H    5.224600     -0.2912000      -1.407800    
 H    6.832900      0.4780000      -1.541800    
 H    3.241300      0.6770000     -0.9397000    
 H   -3.114900      -3.258400      -1.996300    
 H   -2.195300      -1.865100      -2.353900    
 H    1.500700      -1.590300       2.494100    
 H    1.243100      0.5300000      -1.272800    
 H  -0.3951000      -2.956200       1.852700    
 H  -0.5842000     -0.8332000      -1.940600    
 H   -2.387000      -3.939100       1.192900    
 H   -1.083700      -4.694300      0.2280000    
 H   -2.739300      -4.687200     -0.3636000    
 H    4.054000       3.389800      -2.519300    
 H   -5.110900      -3.179000     -0.5445000    
 H   -3.216700       3.524900     -0.6215000    
 H   -2.738700       2.059300      -1.429600    
 H   -8.415000       2.382800       1.508400    
 H   -7.451900       3.833800       1.255100    


%chk=000130585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130585

0 1
Cl 4.146144 0.005270 -4.189688
O 6.141899 -0.555207 -0.814712
O 3.783621 3.224131 0.691009
O 6.000679 3.269396 1.391959
O 4.087016 -0.940024 2.237002
N 3.706196 0.542830 0.483577
N -1.889656 -2.895663 0.587530
N 5.471695 -0.976415 -2.041995
N -3.360804 -0.566019 -0.597867
N -6.030144 -1.299196 -1.366721
N -6.677654 0.989389 -1.263726
N -5.021403 2.712657 -0.598834
N -2.805422 2.104866 -0.067232
N -7.223921 3.252916 -1.135989
C 5.935439 0.947308 -0.625025
C 5.026027 1.130803 0.631443
C 5.323051 1.431595 -1.963571
C 5.032836 0.105303 -2.635057
C 5.019734 2.619889 0.977267
C 3.311201 -0.515116 1.323315
C 1.953763 -1.080428 1.085153
C -0.643741 -2.282252 0.744566
C -2.601216 -2.920308 -0.700501
C 1.388965 -1.906943 2.091466
C 1.194839 -0.867664 -0.098164
C 0.124726 -2.491866 1.936491
C -0.075245 -1.440793 -0.267007
C -3.689109 -1.860804 -0.839827
C -2.530876 -3.582748 1.718989
C -5.032034 -2.197388 -1.218269
C -4.354180 0.361241 -0.732347
C -5.705353 0.031785 -1.125743
C -4.066186 1.768283 -0.463823
C -6.279527 2.268204 -0.999538
H 6.933113 1.368611 -0.421816
H 5.510057 0.588861 1.469275
H 4.409079 2.038451 -1.833664
H 6.033981 2.023279 -2.567703
H 2.999101 1.050909 -0.047248
H -3.062208 -3.918108 -0.833354
H -1.867054 -2.811280 -1.519165
H 1.980265 -2.091026 2.994736
H 1.603403 -0.275365 -0.926647
H -0.259064 -3.135451 2.732569
H -0.639255 -1.214707 -1.175732
H -2.537362 -2.944154 2.621693
H -2.026839 -4.538443 1.970901
H -3.579487 -3.804553 1.461635
H 3.828210 4.191912 0.921073
H -5.297795 -3.245885 -1.405647
H -2.581453 3.075145 0.141299
H -2.118352 1.356841 0.042720
H -8.164338 2.992806 -1.422785
H -6.969264 4.218022 -0.944168


