%chk=000049356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049356

0 1
 Cl   5.945100      -2.394100      0.4293000    
 O   -3.386100       3.019700      0.4769000    
 N   -1.098300      -1.416000     -0.2606000    
 N   -3.582800      -2.792400     -2.5800001E-02
 N    1.146200      -1.004700     -0.5490000    
 N    1.930800       1.897700     -0.2732000    
 C   -1.835200      -1.800300      -1.463900    
 C   -1.366700      -2.239900      0.9173000    
 C   -3.331600      -1.889700      -1.158400    
 C   -2.873200      -2.319500       1.171500    
 C  -0.1051000     -0.4805000     -0.2835000    
 C  -0.3931000      0.8340000     -8.1000000E-02
 C   -5.017300      -2.901100      0.2363000    
 C   0.6406000       1.924100     -0.2779000    
 C    2.430300     -0.5348000     -0.2562000    
 C   -1.748500       1.285400      0.2648000    
 C    2.762400      0.8040000     -5.5599999E-02
 C   7.5000003E-02   3.298800     -0.5082000    
 C   -2.124600       2.568000      0.1672000    
 C    3.445200      -1.509500     -0.1040000    
 C   -1.214700       3.574400     -0.2957000    
 C    4.088100       1.131400      0.3002000    
 C    4.750000      -1.171000      0.2491000    
 C    5.072400      0.1583000      0.4577000    
 C   -4.209100       1.957500      0.9229000    
 H   -1.460600      -2.767000      -1.823300    
 H   -1.677100      -1.073400      -2.270300    
 H  -0.8756000      -1.824400       1.805900    
 H  -0.9522000      -3.243400      0.7586000    
 H   -3.731800     -0.8889000     -0.9548000    
 H   -3.841200      -2.266200      -2.053700    
 H   -3.040500      -3.019200       1.999700    
 H   -3.258400      -1.344900       1.494300    
 H   -5.539900      -3.293400     -0.6432000    
 H   -5.464800      -1.936300      0.5016000    
 H   -5.206300      -3.605500       1.053900    
 H    1.105600      -1.991600     -0.7888000    
 H   -2.414600      0.5067000      0.6007000    
 H   0.7590000       4.080300     -0.8240000    
 H    3.195600      -2.560200     -0.2539000    
 H   -1.588700       4.580700     -0.4544000    
 H    4.364500       2.175000      0.4457000    
 H    6.080200      0.4574000      0.7320000    
 H   -3.849100       1.508300       1.856300    
 H   -4.400600       1.217900      0.1371000    
 H   -5.185400       2.395000       1.161800    


%chk=000049356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049356

0 1
Cl 5.515223 -2.249268 2.059738
O -3.204142 3.386995 0.277701
N -1.220840 -1.346501 -0.451133
N -3.576484 -2.985661 -0.177831
N 1.102738 -1.047178 -0.477126
N 2.026156 1.794631 -0.838707
C -2.417025 -1.104029 -1.296376
C -1.106543 -2.759459 -0.016759
C -3.697222 -1.565249 -0.580468
C -2.402954 -3.186471 0.701760
C -0.145373 -0.451196 -0.376777
C -0.333306 0.952889 -0.270503
C -4.822513 -3.516529 0.410014
C 0.686219 1.908961 -0.769619
C 2.341214 -0.547292 0.078463
C -1.624633 1.461243 0.163747
C 2.766963 0.789597 -0.191295
C 0.156857 3.201006 -1.198131
C -1.998945 2.768043 -0.113841
C 3.163105 -1.458863 0.772756
C -1.117537 3.624067 -0.873469
C 4.079111 1.147530 0.237612
C 4.446936 -1.049377 1.187418
C 4.922994 0.246588 0.920903
C -4.125077 2.581171 1.074022
H -2.309123 -1.689429 -2.234377
H -2.475423 -0.035777 -1.550708
H -0.250547 -2.860627 0.671123
H -0.953055 -3.430734 -0.889614
H -3.887412 -0.900388 0.303391
H -4.554477 -1.463549 -1.271168
H -2.332473 -4.259378 0.960381
H -2.492269 -2.607229 1.656945
H -5.650621 -3.401615 -0.311515
H -5.115873 -3.004001 1.360203
H -4.703561 -4.593516 0.623583
H 1.160254 -1.926008 -0.996942
H -2.279131 0.781939 0.719582
H 0.864981 3.863808 -1.704654
H 2.813107 -2.477287 0.971180
H -1.471746 4.626619 -1.134625
H 4.418716 2.160456 0.002569
H 5.928415 0.546090 1.229961
H -3.654012 2.252390 2.022028
H -4.473225 1.690161 0.511324
H -4.979545 3.239130 1.290634


