%chk=000055267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055267

0 1
 Cl   4.219400      -3.754600       1.466900    
 O   -7.429700     -0.3958000     -0.1238000    
 O    7.555600       2.377800      -1.063200    
 O   -1.322800       2.440500      0.4963000    
 O   -6.956000      -2.577000     -0.6866000    
 N    4.991600       1.880800      0.1364000    
 N    7.965200      9.4700001E-02 -0.8378000    
 N   -1.161600      0.1726000     -8.3499998E-02
 C    5.919600     -0.3930000      0.1357000    
 C    5.912500      0.9195000     -9.3099996E-02
 C    7.225400     -0.8457000     -0.3505000    
 C   -9.601300      0.5916000      0.1653000    
 C    3.587700       1.771000      0.1588000    
 C   -11.10940      0.3583000      0.1491000    
 C    7.223500       1.253000     -0.7209000    
 C   -8.832400     -0.6782000     -0.1709000    
 C    4.978200      -1.307600      0.7055000    
 C   0.8070000       1.551500      0.2050000    
 C    7.531900      -2.285100     -0.2284000    
 C    2.834900       2.614200      0.9764000    
 C    2.950100      0.8180000     -0.6355000    
 C    1.444700       2.504400      0.9994000    
 C    1.559800      0.7082000     -0.6123000    
 C    5.315400      -2.606000      0.7890000    
 C   -2.517700     -0.2290000     -0.1624000    
 C    6.604300      -3.090600      0.3165000    
 C   -11.87210       1.617700      0.5276000    
 C   -5.188500      -1.019300     -0.3203000    
 C  -0.6426000       1.436700      0.2292000    
 C   -2.836900      -1.546300     -0.4922000    
 C   -3.533800      0.6931000      8.8200003E-02
 C   -4.172200      -1.941400     -0.5711000    
 C   -4.869200      0.2980000      9.3000000E-03
 C   -6.580500      -1.431900     -0.4021000    
 H   -9.283700      0.9558000       1.150500    
 H   -9.330400       1.381000     -0.5468000    
 H    5.352500       2.821600      0.2568000    
 H   -11.42470      3.0900000E-02 -0.8484000    
 H   -11.37030     -0.4424000      0.8510000    
 H   -9.096500      -1.025400      -1.176400    
 H   -9.064700      -1.465100      0.5559000    
 H    4.031100     -0.9519000       1.090200    
 H    8.488000      -2.653400     -0.5776000    
 H    3.321100       3.359000       1.601200    
 H    3.502400      0.1779000      -1.317900    
 H   0.8774000       3.167400       1.647500    
 H    1.106200     -1.6400000E-02  -1.282000    
 H    6.816900      -4.151400      0.4123000    
 H   -11.60400       1.951100       1.535200    
 H   -12.94990       1.428400      0.5081000    
 H   -11.65740       2.431400     -0.1725000    
 H  -0.5080000     -0.5888000     -0.2453000    
 H   -2.054800      -2.274800     -0.6904000    
 H   -3.366000       1.728500      0.3484000    
 H   -4.399200      -2.972400     -0.8295000    
 H   -5.627700       1.048900      0.2123000    


%chk=000055267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055267

0 1
Cl 5.128147 -4.521663 0.214755
O -7.745419 -0.264026 0.051073
O 7.574367 2.742424 -0.142237
O -1.331782 2.534506 0.489437
O -7.212603 -2.530679 -0.083793
N 5.057015 1.697095 0.120829
N 8.446606 0.496220 -0.317088
N -1.312173 0.203620 0.177494
C 6.276030 -0.585867 -0.071026
C 6.052255 0.804465 -0.024631
C 7.748053 -0.694853 -0.248428
C -9.991581 0.669113 0.032168
C 3.644154 1.569184 0.156266
C -11.515183 0.402537 -0.019731
C 7.488519 1.477262 -0.173187
C -9.191169 -0.632480 -0.001421
C 5.469037 -1.760853 0.078949
C 0.809384 1.434727 0.236034
C 8.335588 -1.995597 -0.311102
C 2.897195 2.604507 0.780487
C 2.968948 0.489072 -0.467964
C 1.496245 2.533836 0.815689
C 1.564025 0.427815 -0.423674
C 6.106282 -2.993817 0.023497
C -2.699359 -0.101876 0.145848
C 7.522007 -3.124810 -0.180010
C -12.341208 1.706331 0.005722
C -5.428021 -0.873919 0.054058
C -0.696457 1.451211 0.307903
C -3.056478 -1.477026 0.047147
C -3.718163 0.889260 0.202122
C -4.405450 -1.857219 0.002627
C -5.068073 0.494254 0.153821
C -6.844063 -1.330467 -0.000050
H -9.740809 1.229993 0.953135
H -9.693038 1.303808 -0.824363
H 5.448438 2.662581 0.177447
H -11.758645 -0.171724 -0.936644
H -11.807662 -0.237751 0.837096
H -9.371018 -1.212170 -0.926079
H -9.416247 -1.286436 0.861776
H 4.393377 -1.706933 0.261437
H 9.415772 -2.087361 -0.451164
H 3.418243 3.450034 1.243819
H 3.529740 -0.253961 -1.040069
H 0.902328 3.325042 1.283102
H 1.066200 -0.386651 -0.963416
H 7.958999 -4.127719 -0.224363
H -12.139675 2.285932 0.926028
H -13.425423 1.495756 -0.030813
H -12.092031 2.350551 -0.858195
H -0.691790 -0.608680 0.146032
H -2.273165 -2.244922 0.005281
H -3.439762 1.940201 0.288869
H -4.693648 -2.910505 -0.073110
H -5.858455 1.248626 0.195213


