%chk=000045060.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045060

0 1
 S   -1.921800      -1.255600     -0.1747000    
 S   0.4085000     -7.2099999E-02  -1.560200    
 O   -2.051300      -2.230800      -1.260600    
 O   -2.242800      -1.659800       1.194700    
 N   -2.922300      0.1013000     -0.5655000    
 N   0.5314000     -0.8087000      0.9086000    
 C   -2.886800       1.257700      0.3505000    
 C  -0.2628000     -0.7360000     -0.1340000    
 C   -4.263600       1.494800      0.9574000    
 C   -2.382100       2.498900     -0.3748000    
 C    1.907900      0.1513000     -0.7385000    
 C    1.780200     -0.3035000      0.5774000    
 C    3.110400      0.6902000      -1.223600    
 C    2.897200     -0.2148000       1.436200    
 C    4.200400      0.7666000     -0.3529000    
 C    4.097500      0.3206000      0.9601000    
 H   -2.199800       1.054700       1.180400    
 H   -3.052200      0.3253000      -1.560400    
 H   -4.245200       2.335200       1.658800    
 H   -5.006100       1.712400      0.1816000    
 H   -4.605500      0.6067000       1.500100    
 H   -1.373200       2.345700     -0.7678000    
 H   -2.350300       3.360000      0.3010000    
 H   -3.029900       2.755000      -1.220500    
 H    3.198100       1.040400      -2.247500    
 H    2.827800     -0.5602000       2.463800    
 H    5.140600       1.180400     -0.7083000    
 H    4.955900      0.3880000       1.622700    


%chk=000045060-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045060

0 1
S -1.943600 -1.151928 -0.405129
S 0.970396 -1.382717 -1.766769
O -2.112973 -1.960259 -1.802257
O -2.268556 -1.796998 1.044161
N -2.956072 0.328373 -0.522648
N 0.489826 0.100468 0.440945
C -3.335950 1.079672 0.702765
C -0.074419 -0.670412 -0.441793
C -4.765290 1.622889 0.474320
C -2.333268 2.195907 1.075774
C 2.339291 -0.480310 -0.969198
C 1.872138 0.241098 0.182292
C 3.693022 -0.441630 -1.356992
C 2.775687 1.008990 0.954069
C 4.581293 0.329915 -0.575569
C 4.127981 1.046438 0.566874
H -3.365278 0.325092 1.511236
H -2.756921 0.849163 -1.388497
H -5.121175 2.135267 1.386766
H -4.784125 2.354795 -0.355100
H -5.457702 0.800545 0.231230
H -1.322244 1.782722 1.235005
H -2.655353 2.697543 2.006618
H -2.282839 2.963202 0.279117
H 4.054352 -0.989741 -2.232034
H 2.409861 1.549383 1.831754
H 5.638989 0.373644 -0.855843
H 4.843127 1.632586 1.152902


