%chk=000025105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025105

0 1
 Cl  -2.366300       4.497500     -0.2436000    
 O    2.032300      -1.923600       1.758200    
 N   -1.132200      -1.271900       1.519100    
 N    1.619900      0.2037000      0.8888000    
 N    5.537200     -0.7027000     -0.7590000    
 C   -1.109300     -0.5940000      0.2020000    
 C   -2.410600      -1.059900       2.210900    
 C   -2.355300     -0.8802000     -0.6348000    
 C  -0.6966000      0.8816000      0.2883000    
 C   -3.553400      -1.708000       1.430300    
 C  -2.0700000E-02 -0.8910000       2.392900    
 C   -3.527400      -1.372900     -3.5900000E-02
 C   0.6588000       1.216300      0.5434000    
 C    1.294900     -0.9427000       1.634700    
 C    3.001500      0.3908000      0.4533000    
 C   -2.340100     -0.6472000      -2.021100    
 C   -1.623900       1.918500      7.7200003E-02
 C   -4.659000      -1.622500     -0.8248000    
 C    3.160100     -4.9600001E-02  -1.003200    
 C    1.058400       2.561300      0.4573000    
 C   -3.474400     -0.8899000      -2.795000    
 C   -4.633700      -1.375500      -2.196700    
 C   -1.213900       3.250200      3.6899999E-02
 C    4.591900      0.1043000      -1.520800    
 C   0.1272000       3.569200      0.2081000    
 C    6.892400     -0.5495000      -1.291600    
 C    5.142300      -2.112300     -0.7749000    
 H  -0.3212000      -1.099200     -0.3778000    
 H   -2.608200      1.0800000E-02   2.353100    
 H   -2.386400      -1.514100       3.209600    
 H   -4.506100      -1.387700       1.868600    
 H   -3.490500      -2.799200       1.530400    
 H   5.2099999E-02  -1.606100       3.222100    
 H  -0.1495000      9.7999997E-02   2.850600    
 H    3.640500     -0.2294000       1.093000    
 H    3.361500       1.409100      0.6082000    
 H   -1.441700     -0.2705000      -2.504100    
 H   -2.676400       1.690800     -7.3899999E-02
 H   -5.565500      -2.017600     -0.3730000    
 H    2.517600      0.5816000      -1.632000    
 H    2.777000      -1.066200      -1.149900    
 H    2.076300       2.885300      0.6421000    
 H   -3.452100     -0.7023000      -3.864500    
 H   -5.515900      -1.569700      -2.799600    
 H    4.611500     -0.1642000      -2.585400    
 H    4.873500       1.162900      -1.453700    
 H   0.4624000       4.602700      0.1731000    
 H    7.611400      -1.108300     -0.6822000    
 H    6.972100     -0.8986000      -2.327600    
 H    7.202900      0.5007000      -1.256200    
 H    4.244100      -2.297500     -0.1785000    
 H    4.982800      -2.489700      -1.791700    
 H    5.921200      -2.729500     -0.3105000    


%chk=000025105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025105

0 1
Cl -2.630462 4.607337 0.179746
O 2.272259 -1.736046 1.688506
N -1.090868 -1.231065 1.449539
N 1.627248 0.326038 0.811377
N 5.503986 -0.745517 -0.841952
C -1.043265 -0.536372 0.123247
C -2.387890 -1.073147 2.150461
C -2.304809 -0.802571 -0.695718
C -0.718630 0.962163 0.288114
C -3.488293 -1.782603 1.345954
C 0.057724 -0.878546 2.329175
C -3.469337 -1.373940 -0.119214
C 0.616682 1.336234 0.633252
C 1.395506 -0.825589 1.579080
C 2.952424 0.447183 0.139099
C -2.301480 -0.466727 -2.073340
C -1.702431 1.972194 0.166172
C -4.607467 -1.591428 -0.938136
C 3.020518 -0.394244 -1.154747
C 0.948950 2.703484 0.805546
C -3.434674 -0.690587 -2.880808
C -4.598793 -1.256274 -2.307486
C -1.348116 3.319417 0.352163
C 4.427786 -0.366293 -1.788611
C -0.029881 3.707435 0.660846
C 6.840940 -0.524297 -1.427935
C 5.355132 -2.115094 -0.298977
H -0.191182 -0.987110 -0.424455
H -2.652176 0.001719 2.311779
H -2.291351 -1.538990 3.148210
H -4.480015 -1.572846 1.790866
H -3.322898 -2.875494 1.417006
H 0.157576 -1.660752 3.099984
H -0.098963 0.103377 2.841343
H 3.736920 0.102332 0.831934
H 3.136578 1.510460 -0.090508
H -1.399682 -0.022213 -2.512608
H -2.726458 1.702544 -0.107952
H -5.507586 -2.030964 -0.490200
H 2.294496 -0.010015 -1.898257
H 2.729659 -1.432928 -0.917153
H 1.969777 2.985914 1.082445
H -3.413189 -0.427953 -3.944051
H -5.487966 -1.431991 -2.923136
H 4.420019 -1.030956 -2.694030
H 4.650170 0.658972 -2.147652
H 0.224106 4.761770 0.801340
H 7.617710 -0.734587 -0.671084
H 7.047250 -1.170051 -2.320421
H 6.943856 0.530838 -1.740927
H 4.423199 -2.203668 0.284984
H 5.353607 -2.901378 -1.096931
H 6.197285 -2.325073 0.384321


