%chk=000058021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058021

0 1
 Cl   5.805600       1.563200      0.4569000    
 O  -0.5381000     -3.9500002E-02 -0.1424000    
 O   0.2954000      -2.013600     -0.9836000    
 N   -4.218100      0.1461000     -4.8000000E-02
 N    5.187900      -1.415300      0.5582000    
 C   -2.832500      0.5752000      0.1390000    
 C   -5.140500       1.204400      0.3616000    
 C   -4.479700      -1.079800      0.7053000    
 C   -1.868700     -0.5048000     -0.3261000    
 C   -4.889800       2.486400     -0.4052000    
 C   -5.891900      -1.579000      0.4798000    
 C   0.4522000     -0.8972000     -0.5140000    
 C    1.787900     -0.2959000     -0.2714000    
 C    2.849400      -1.126100      2.5800001E-02
 C    1.926200       1.074700     -0.3500000    
 C    4.103900     -0.5609000      0.2544000    
 C    3.180900       1.639900     -0.1214000    
 C    4.269700      0.8221000      0.1808000    
 H   -2.621900      0.8376000       1.184600    
 H   -2.596300       1.464500     -0.4557000    
 H   -6.173500      0.9211000      0.1349000    
 H   -5.081900       1.403200       1.439300    
 H   -3.848600      -1.901600      0.3574000    
 H   -4.295900     -0.9504000       1.779300    
 H   -2.032200     -0.7374000      -1.385400    
 H   -1.953000      -1.419600      0.2661000    
 H   -3.997900       3.016700     -5.7200000E-02
 H   -4.801700       2.307500      -1.482400    
 H   -5.732700       3.171700     -0.2588000    
 H   -6.638000     -0.9788000       1.009500    
 H   -6.148900      -1.606400     -0.5848000    
 H   -5.987400      -2.601300      0.8636000    
 H    2.717400      -2.203300      8.6199999E-02
 H    1.097700       1.732000     -0.5965000    
 H    3.294000       2.719300     -0.1854000    
 H    5.048800      -2.415700      0.6078000    
 H    6.104200      -1.022000      0.7274000    


%chk=000058021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058021

0 1
Cl 6.115896 1.193315 1.011482
O -0.533438 0.102334 0.031934
O 0.267058 -1.804654 -1.040398
N -4.272376 0.221700 0.216784
N 5.383970 -1.355617 -0.492773
C -2.864508 0.638198 0.429040
C -5.213371 1.361905 0.060045
C -4.727976 -0.790707 1.209215
C -1.923165 -0.327968 -0.300150
C -5.090786 2.055442 -1.310032
C -5.857390 -1.692212 0.675593
C 0.489467 -0.740062 -0.409352
C 1.841656 -0.226744 -0.041614
C 2.955422 -1.005854 -0.427398
C 2.018832 0.990987 0.666096
C 4.283136 -0.598770 -0.119857
C 3.326668 1.414198 0.981375
C 4.423323 0.628813 0.592534
H -2.588574 0.680264 1.508998
H -2.714134 1.653458 0.022203
H -6.239541 0.964422 0.160119
H -5.085032 2.114487 0.879299
H -3.860034 -1.427851 1.462665
H -5.049198 -0.304533 2.165300
H -2.066327 -0.280453 -1.393434
H -2.059924 -1.375908 0.021644
H -4.085172 2.486905 -1.466785
H -5.279104 1.329536 -2.119977
H -5.823512 2.879926 -1.393165
H -6.766283 -1.114004 0.429197
H -5.526838 -2.211942 -0.240252
H -6.137673 -2.448035 1.432858
H 2.777017 -1.939306 -0.973171
H 1.150343 1.584673 0.957643
H 3.497195 2.347743 1.525379
H 5.263841 -2.225962 -1.001471
H 6.322532 -1.040727 -0.259971


