%chk=000016104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016104

0 1
 Cl  -2.585400      -3.771700      -1.233700    
 N   -1.346300       1.082700      0.3799000    
 N   -4.093500       1.817800      0.2578000    
 N   0.8740000       1.406000      9.3800001E-02
 N    2.271800      -1.118200      0.9051000    
 C   -1.719800       2.419000     -7.5300001E-02
 C   -2.311500      0.4306000       1.260600    
 C   -3.122800       2.393500     -0.6844000    
 C   -3.701300      0.4486000      0.6223000    
 C  -0.1184000      0.5637000      0.1513000    
 C  -3.1399999E-02 -0.9214000      8.2000000E-03
 C   -5.437800       1.831100     -0.3175000    
 C    1.047500      -1.666800      0.4957000    
 C    2.231300       1.139400     -9.4099998E-02
 C   -1.146400      -1.589700     -0.5368000    
 C    2.913300      2.2900000E-02  0.4010000    
 C   0.9537000      -3.075700      0.4712000    
 C   -1.209600      -2.982000     -0.5668000    
 C    2.973600       2.178500     -0.6890000    
 C  -0.1630000      -3.728000     -4.8300002E-02
 C    4.320900     -1.7500000E-02  0.2954000    
 C    4.361800       2.118500     -0.7989000    
 C    5.039300       1.018900     -0.2972000    
 H   -1.025500       2.794000     -0.8369000    
 H   -1.681700       3.115100      0.7717000    
 H   -2.345300       1.002600       2.198500    
 H   -2.047200     -0.5843000       1.570800    
 H   -3.409000       3.422000     -0.9354000    
 H   -3.106300       1.818700      -1.620300    
 H   -3.746900     -0.2072000     -0.2534000    
 H   -4.413200      4.9400002E-02   1.355400    
 H   -6.166900       1.438900      0.4002000    
 H   -5.502800       1.235800      -1.235600    
 H   -5.746300       2.856600     -0.5491000    
 H   -1.949900      -1.028700      -1.002900    
 H    2.878100      -1.758700       1.408200    
 H    1.780600      -3.681500      0.8388000    
 H    2.461100       3.065900      -1.057200    
 H  -0.1894000      -4.814200     -5.6400001E-02
 H    4.868800     -0.8840000      0.6621000    
 H    4.908100       2.934900      -1.261200    
 H    6.120800      0.9602000     -0.3717000    


%chk=000016104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016104

0 1
Cl -2.152243 -4.204020 -1.528629
N -1.473787 0.927142 0.160151
N -4.169351 1.944717 0.326283
N 0.799279 1.357882 -0.101903
N 2.173107 -0.941714 1.195212
C -1.740003 2.370937 -0.033222
C -2.474245 0.293730 1.056296
C -3.167723 2.566231 -0.572412
C -3.893192 0.501081 0.501339
C -0.152616 0.458562 0.051158
C 0.010651 -1.035879 -0.010111
C -5.555768 2.205998 -0.104386
C 1.120035 -1.689675 0.605069
C 2.179829 1.113207 -0.225457
C -0.963175 -1.819679 -0.681476
C 2.882133 0.060421 0.448032
C 1.164513 -3.109443 0.630942
C -0.877156 -3.221533 -0.664765
C 2.949219 2.074800 -0.937158
C 0.161327 -3.885461 0.014998
C 4.295991 0.017085 0.415435
C 4.356892 2.017332 -0.982664
C 5.038521 0.991527 -0.287869
H -0.988995 2.769276 -0.732301
H -1.623101 2.913804 0.928059
H -2.412752 0.766970 2.060265
H -2.262123 -0.779685 1.168568
H -3.379052 3.649849 -0.641024
H -3.224847 2.140230 -1.608073
H -3.994994 -0.062333 -0.463945
H -4.626739 0.082149 1.215343
H -6.260942 1.779420 0.631494
H -5.797280 1.771474 -1.107685
H -5.730499 3.295735 -0.152763
H -1.785875 -1.316859 -1.197995
H 2.777879 -1.488321 1.814639
H 2.007308 -3.613051 1.118976
H 2.401768 2.885766 -1.428195
H 0.205893 -4.978073 0.039093
H 4.818567 -0.794288 0.939573
H 4.918001 2.776498 -1.537946
H 6.132647 0.943893 -0.295047


