%chk=000100535.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100535

0 1
 Cl   2.976400      -2.105400      0.8610000    
 N   -1.399100      0.9587000      0.2102000    
 N   0.3495000     -0.6793000      0.1525000    
 N   -1.932700      -1.305400     -0.1164000    
 N    3.950500      0.1811000      0.1759000    
 N   -1.054200      -3.597100     -0.6073000    
 C   -2.854400       1.158800      0.1605000    
 C   -3.491500      0.3484000       1.288800    
 C   -3.128900       2.650500      0.3484000    
 C   -3.360400      0.6859000      -1.201900    
 C  -0.9666000     -0.2500000      7.3299997E-02
 C    1.547100      5.6699999E-02  9.7000003E-03
 C    1.495700       1.369500     -0.4365000    
 C    2.783300     -0.4894000      0.3003000    
 C    2.675400       2.091900     -0.5774000    
 C    3.866000       1.457800     -0.2608000    
 C   -1.456400      -2.532700     -0.3802000    
 H   -3.993900       1.028300       1.991500    
 H   -4.294700     -0.3243000      0.9668000    
 H   -2.788700     -0.2029000       1.924100    
 H   -2.645800       3.242500     -0.4379000    
 H   -2.731900       3.007700       1.305800    
 H   -4.202700       2.866300      0.3244000    
 H   -2.576000      0.3619000      -1.895700    
 H   -4.142800     -8.0100000E-02  -1.160200    
 H   -3.847900       1.520400      -1.725300    
 H   0.5293000      -1.654500      0.3737000    
 H   -2.928800      -1.191400     -0.1336000    
 H   0.5776000       1.868400     -0.7207000    
 H    2.664800       3.116400     -0.9315000    
 H    4.814000       1.976900     -0.3555000    


%chk=000100535-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100535

0 1
Cl 2.975545 -2.333689 -0.077849
N -1.427948 0.719835 0.058411
N 0.380347 -0.818264 0.003135
N -1.803711 -1.697390 0.051137
N 3.920480 0.220252 -0.163618
N -0.931046 -4.086429 -0.150125
C -2.857314 1.159609 0.049602
C -3.638345 0.659054 1.302442
C -2.802242 2.708426 0.105910
C -3.569941 0.736386 -1.268028
C -0.981864 -0.496991 0.037104
C 1.478756 0.055030 -0.058121
C 1.399535 1.475253 -0.075691
C 2.802154 -0.485591 -0.104134
C 2.586990 2.237124 -0.140600
C 3.836163 1.585140 -0.184039
C -1.352766 -2.965667 -0.054094
H -4.597390 1.201315 1.380947
H -3.887180 -0.420003 1.280912
H -3.054507 0.853927 2.219218
H -2.220821 3.097237 -0.748184
H -2.307710 3.039844 1.035918
H -3.818143 3.142028 0.069699
H -3.012711 1.122298 -2.139584
H -3.656545 -0.359559 -1.386260
H -4.590405 1.158984 -1.295117
H 0.637351 -1.814153 0.020993
H -2.804090 -1.547257 0.180610
H 0.407703 1.928744 -0.034881
H 2.538697 3.330169 -0.155486
H 4.783161 2.129939 -0.234228


