%chk=000002790.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002790

0 1
 Cl   6.764200       2.050200     -0.1528000    
 S  -0.8640000      -2.232400      0.7332000    
 N   -4.976900       1.006100     -0.9464000    
 N   -4.076600       2.826700     -4.8200000E-02
 N    1.229700      -1.647300     -0.7649000    
 N  -0.4796000      -3.034900      -1.738400    
 C   -3.413600      -1.367500       1.276100    
 C   -4.731900     -0.7208000      0.8315000    
 C   -2.394200      -1.475300      0.1423000    
 C   -4.556000      0.6758000      0.2888000    
 C   -4.007800       1.780400      0.8372000    
 C    2.884900     -0.1835000      0.2986000    
 C    1.588700     -0.9290000      0.4510000    
 C   -4.665000       2.326900      -1.112100    
 C   0.1072000      -2.283300     -0.7522000    
 C    4.080000     -0.8119000      0.6245000    
 C    2.872500       1.125800     -0.1655000    
 C    5.282800     -0.1195000      0.4842000    
 C    4.075200       1.818100     -0.3059000    
 C    5.280400       1.195600      1.8999999E-02
 H   -3.639400      -2.365900       1.672100    
 H   -2.989200     -0.7840000       2.103800    
 H   -5.211300      -1.358800      7.8299999E-02
 H   -5.415800     -0.6765000       1.688000    
 H   -2.144600     -0.4895000     -0.2613000    
 H   -2.818300      -2.074700     -0.6694000    
 H   -5.431900      0.4083000      -1.624300    
 H   -3.564200       1.902700       1.814500    
 H    1.712200      -1.614000       1.301500    
 H   0.8314000     -0.1802000      0.7222000    
 H   -4.891900       2.860500      -2.024000    
 H    4.094100      -1.836600      0.9855000    
 H    1.940100       1.619900     -0.4239000    
 H    6.214300     -0.6174000      0.7409000    
 H    4.058100       2.842200     -0.6700000    
 H   -1.354800      -3.523200      -1.585100    
 H  -3.3700000E-02  -3.153000      -2.641600    


%chk=000002790-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002790

0 1
Cl 2.307725 3.614192 -1.490334
S -1.458676 -3.303679 0.800351
N -2.172159 2.039085 -0.821081
N -1.773825 3.140421 1.107683
N 1.337733 -3.008273 0.136174
N 0.124283 -4.730013 -0.901041
C -3.259006 -1.175540 0.529433
C -3.758957 0.144235 -0.128795
C -1.909277 -1.644971 -0.036691
C -2.900942 1.350313 0.164683
C -2.635907 2.054796 1.346478
C 1.700113 -0.560394 0.460987
C 1.490443 -1.926685 1.116402
C -1.514410 3.104128 -0.213896
C 0.225378 -3.642150 -0.052137
C 2.273399 -0.447068 -0.830027
C 1.334862 0.620596 1.153555
C 2.476365 0.819174 -1.424849
C 1.528470 1.896480 0.577174
C 2.095041 1.969362 -0.708256
H -4.022824 -1.961479 0.369328
H -3.170214 -1.025782 1.621843
H -3.841716 -0.004818 -1.224238
H -4.787499 0.333018 0.233859
H -1.107364 -0.918384 0.169588
H -1.967893 -1.827561 -1.123474
H -2.126695 1.787855 -1.808161
H -3.017105 1.855538 2.345992
H 2.385613 -2.163161 1.727582
H 0.626865 -1.874836 1.816193
H -0.868367 3.792302 -0.754271
H 2.545384 -1.359932 -1.369116
H 0.875290 0.556906 2.147234
H 2.917434 0.906573 -2.422333
H 1.214596 2.798424 1.109168
H -0.779624 -5.161734 -1.070607
H 0.968568 -5.086937 -1.347201


