%chk=000006543.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006543

0 1
 S   -1.211300      2.9400000E-02  0.9174000    
 S   -4.652100     -0.2029000       1.612800    
 P   -3.236200     -2.2700001E-02  0.2664000    
 O   -3.459200       1.279700     -0.6970000    
 O   -3.336700      -1.177000     -0.8874000    
 N    1.843000      -1.204600     -0.1211000    
 N    1.823700       1.191200     -0.2546000    
 N    3.872900      3.1800002E-02  0.2085000    
 N    3.860900      -2.310200      0.3310000    
 N    3.823400       2.372200      7.0299998E-02
 C  -0.2213000     -4.5400001E-02 -0.5891000    
 C    1.254300     -1.7600000E-02 -0.3004000    
 C    3.158000      -1.102200      0.1304000    
 C    3.140100       1.138400      5.5000000E-03
 C   -3.457700       2.586700     -0.1472000    
 C   -3.201800      -2.546600     -0.5453000    
 H  -0.4893000      0.8000000      -1.231500    
 H  -0.4715000     -0.9606000      -1.135800    
 H   -3.274800       3.302100     -0.9529000    
 H   -2.673300       2.695100      0.6055000    
 H   -4.432300       2.800000      0.2986000    
 H   -2.431200      -2.688400      0.2161000    
 H   -2.917800      -3.102300      -1.442500    
 H   -4.158100      -2.930000     -0.1811000    
 H    4.852600      -2.282200      0.5232000    
 H    3.363600      -3.188600      0.2815000    
 H    4.815600       2.381500      0.2622000    
 H    3.312500       3.231600     -7.7500001E-02


%chk=000006543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006543

0 1
S -1.198499 -1.129475 0.966377
S -4.427435 0.360492 1.730529
P -3.114708 -0.107082 0.209869
O -2.573609 1.133615 -0.870693
O -3.666949 -1.112809 -1.092689
N 2.221495 -1.314727 -0.106667
N 1.312179 0.938548 -0.162106
N 3.674333 0.594110 0.378840
N 4.486908 -1.603899 0.414034
N 2.743172 2.739333 0.301770
C -0.142192 -0.990005 -0.631397
C 1.206651 -0.419919 -0.282008
C 3.438740 -0.745739 0.225757
C 2.575577 1.386986 0.171631
C -1.984605 2.357021 -0.266197
C -4.393936 -2.345800 -0.722135
H -0.693358 -0.322573 -1.312503
H -0.042619 -2.002260 -1.043598
H -2.001090 3.093892 -1.083196
H -0.946715 2.148469 0.049383
H -2.601917 2.711208 0.579956
H -3.734559 -3.036024 -0.163526
H -4.683364 -2.791070 -1.685121
H -5.291196 -2.108126 -0.122436
H 5.399283 -1.231858 0.665441
H 4.327119 -2.603251 0.313464
H 3.659599 3.104502 0.548443
H 1.947695 3.354844 0.154782


