%chk=000055741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055741

0 1
 Cl  -7.763400      -2.572700     -0.1760000    
 O   -3.379300       1.332200     -9.3800001E-02
 O  -0.9926000       2.279600     -0.9009000    
 N    4.602900      0.1585000     -0.1086000    
 N    1.337300       1.843800      0.5557000    
 N   9.6699998E-02   1.365800      0.9413000    
 C    4.710200     -0.5730000       1.158200    
 C    5.883300      0.6154000     -0.6510000    
 C    5.841200      -1.598500       1.283800    
 C    6.472000     -0.4333000      -1.599000    
 C    6.112700      -2.407300      1.9500000E-02
 C    7.053500      -1.678600     -0.9368000    
 C    3.658800       1.268000      3.6499999E-02
 C    2.273700      0.7370000      0.3937000    
 C   -1.003700       1.637200      0.1462000    
 C   -2.266900       1.034300      0.7228000    
 C   -4.406900      0.4189000     -0.1123000    
 C   -4.655200     -0.3537000       1.013600    
 C   -5.178900      0.2820000      -1.257700    
 C   -5.696500      -1.281700      0.9938000    
 C   -6.220100     -0.6460000      -1.277400    
 C   -6.478900      -1.427900     -0.1517000    
 H    4.795300      0.1166000       2.008600    
 H    3.793900      -1.156300       1.302900    
 H    5.735400       1.518100      -1.258900    
 H    6.593400      0.8983000      0.1357000    
 H    5.574800      -2.292000       2.092000    
 H    6.760800      -1.096900       1.610500    
 H    7.270500      4.0600002E-02  -2.184200    
 H    5.707900     -0.7366000      -2.327100    
 H    5.178900      -2.684600     -0.4830000    
 H    6.601700      -3.344600      0.3134000    
 H    7.973900      -1.405500     -0.4052000    
 H    7.355800      -2.376400      -1.727600    
 H    3.575900       1.811800     -0.9139000    
 H    4.009900       1.985800      0.7900000    
 H    2.284200      0.1855000       1.339000    
 H    1.920300      5.8300000E-02 -0.3930000    
 H    1.660900       2.462400       1.298700    
 H   2.6200000E-02  0.8477000       1.811900    
 H   -2.083800     -4.6599999E-02  0.7914000    
 H   -2.425900       1.451500       1.723800    
 H   -4.086800     -0.2503000       1.932600    
 H   -4.979400      0.8890000      -2.136100    
 H   -5.890700      -1.880200       1.880200    
 H   -6.821400     -0.7491000      -2.177000    


%chk=000055741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055741

0 1
Cl -7.801038 -1.640627 2.016316
O -2.554318 0.271580 -0.262022
O -0.609813 1.126385 -3.222810
N 4.618449 0.351517 -0.042410
N 1.174657 1.587734 -0.996929
N -0.171687 1.177001 -0.898914
C 4.834568 0.736964 1.369509
C 5.826191 0.015312 -0.836340
C 5.907861 -0.093812 2.111373
C 6.162778 -1.496486 -0.781547
C 5.881999 -1.616001 1.816745
C 6.719604 -2.000639 0.570284
C 3.585071 1.166161 -0.707192
C 2.157065 0.647411 -0.413125
C -0.947197 0.950576 -2.021351
C -2.368981 0.448355 -1.712270
C -3.807194 -0.179480 0.192237
C -4.899771 -0.476082 -0.658722
C -3.930362 -0.329407 1.595462
C -6.118809 -0.922968 -0.097798
C -5.144438 -0.774370 2.153442
C -6.226477 -1.065760 1.296286
H 5.109954 1.822219 1.456249
H 3.868139 0.619238 1.900396
H 5.627991 0.284488 -1.890816
H 6.713735 0.614501 -0.523238
H 5.763527 0.086993 3.194822
H 6.918183 0.292620 1.870516
H 6.902153 -1.727333 -1.577227
H 5.233277 -2.044817 -1.029335
H 4.835431 -1.956521 1.690674
H 6.295206 -2.157315 2.691096
H 7.747560 -1.604268 0.711744
H 6.816738 -3.104023 0.520259
H 3.729687 1.138240 -1.800791
H 3.649943 2.244917 -0.402209
H 2.022443 0.505236 0.686890
H 2.025867 -0.336831 -0.893133
H 1.295187 2.564130 -0.694782
H -0.593923 0.957231 0.014780
H -3.090963 1.188580 -2.109052
H -2.512121 -0.512668 -2.243177
H -4.825442 -0.368255 -1.744278
H -3.073888 -0.096183 2.234830
H -6.968831 -1.154807 -0.745816
H -5.246409 -0.892235 3.235972


