%chk=000036258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036258

0 1
 Cl   7.784300       1.282000      -1.178700    
 O   -3.721000      -2.892000      -1.630400    
 O   -3.511100       3.813000      0.6418000    
 O   -1.387000       3.562200      0.1475000    
 O   -6.496600      0.1127000      0.6027000    
 O   -5.796600      -1.903400      8.8799998E-02
 N    4.681400     -0.9321000      0.1877000    
 N  -0.3963000       1.364100     -0.4612000    
 N   -2.539300       3.096100      0.3064000    
 N   -5.586500     -0.6807000      0.2664000    
 N   -3.269500      -3.289900      0.5824000    
 C    5.802300     -0.5223000     -0.6263000    
 C    3.413000     -0.3587000      2.5500000E-02
 C    4.889900      -1.979300       1.188600    
 C    6.448900      0.7624000     -0.1055000    
 C    3.207600      0.6429000     -0.9300000    
 C    2.340000     -0.7819000      0.8176000    
 C   0.8801000      0.7868000     -0.2981000    
 C    4.618700      -3.342600      0.5823000    
 C    1.945200       1.213800      -1.091200    
 C    1.077700     -0.2110000      0.6563000    
 C    6.961200      0.6399000       1.324900    
 C   -1.700000      0.8643000     -0.2758000    
 C   -2.752000       1.704200      9.8999999E-02
 C   -1.939500     -0.4982000     -0.4720000    
 C   -3.222000      -1.017400     -0.2948000    
 C   -4.269400     -0.1756000      7.9400003E-02
 C   -4.034400       1.185200      0.2763000    
 C   -3.429200      -2.444600     -0.5096000    
 H    5.524100     -0.4355000      -1.684000    
 H    6.562500      -1.316400     -0.6233000    
 H    4.337500      -1.818100       2.119400    
 H    5.940900      -1.973600       1.504500    
 H    5.729800       1.586800     -0.1284000    
 H    3.993100       1.015900      -1.578300    
 H    2.418300      -1.560500       1.567900    
 H    3.577300      -3.443400      0.2614000    
 H    5.254000      -3.523000     -0.2915000    
 H    4.822800      -4.129700       1.315100    
 H    1.803100       1.989700      -1.839200    
 H   0.2710000     -0.5490000       1.301100    
 H    7.683600     -0.1775000       1.423100    
 H    6.143000      0.4644000       2.030300    
 H    7.458400       1.564000       1.641000    
 H  -0.3666000       2.292900     -0.8708000    
 H   -1.141100      -1.165600     -0.7883000    
 H   -4.851200       1.841100      0.5680000    
 H   -3.395400      -4.292300      0.4892000    
 H   -3.024000      -2.940500       1.503200    


%chk=000036258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036258

0 1
Cl 7.724335 1.331123 -1.460456
O -3.605947 -2.914763 -1.605074
O -3.874479 3.944597 0.125048
O -1.624636 3.810676 -0.220228
O -6.705761 0.120125 0.033638
O -5.824192 -1.956816 0.402936
N 4.706400 -0.938417 0.249944
N -0.446135 1.481079 -0.167922
N -2.804979 3.247329 -0.049104
N -5.706618 -0.692055 0.141915
N -3.034999 -3.373143 0.606891
C 5.807504 -0.500374 -0.627185
C 3.430579 -0.365077 0.143688
C 4.954220 -2.107441 1.125125
C 6.518147 0.763732 -0.083751
C 3.175566 0.741832 -0.731261
C 2.326081 -0.845786 0.919222
C 0.809273 0.814350 -0.068385
C 4.522895 -3.452145 0.495373
C 1.896954 1.309568 -0.833482
C 1.052573 -0.262490 0.823108
C 7.310277 0.563364 1.206096
C -1.709568 0.944672 -0.125312
C -2.888106 1.791144 -0.060538
C -1.942772 -0.472181 -0.177529
C -3.220786 -1.031743 -0.131433
C -4.346829 -0.155536 -0.008430
C -4.180409 1.232639 0.007038
C -3.350174 -2.522173 -0.432123
H 5.441584 -0.304365 -1.651305
H 6.548613 -1.315552 -0.707753
H 4.447984 -1.955424 2.096929
H 6.035585 -2.136380 1.346787
H 5.813002 1.605627 0.001892
H 3.974604 1.166098 -1.344643
H 2.458195 -1.676243 1.617106
H 3.445352 -3.457993 0.257205
H 5.077040 -3.642518 -0.441279
H 4.729115 -4.286454 1.190741
H 1.733884 2.145716 -1.522968
H 0.252962 -0.629440 1.474262
H 8.085354 -0.213294 1.081397
H 6.623276 0.257872 2.018201
H 7.804656 1.499807 1.512611
H -0.456365 2.516925 -0.271046
H -1.084505 -1.130951 -0.330360
H -5.050392 1.890414 0.080893
H -3.126717 -4.377512 0.448002
H -2.980639 -3.032824 1.565920


