%chk=000055523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055523

0 1
 S    3.780000      0.3661000      0.7293000    
 S    3.669800      -1.671500      0.4738000    
 O  -0.9748000      -1.045000     -0.2432000    
 O   0.9386000      0.9199000      0.5768000    
 O   0.9838000       1.742400      -1.587200    
 O    2.233400      -1.940600       1.273900    
 N    2.970400       1.004500     -0.6373000    
 C   -2.222900      -1.622300     -0.7251000    
 C   -3.402500     -0.7805000     -0.1845000    
 C   -2.675500      0.4331000      0.2510000    
 C   -1.311000      0.2021000      0.2131000    
 C   -2.178300      -1.613000      -2.258300    
 C   -2.292000      -3.062600     -0.2150000    
 C   -3.178100       1.642600      0.6962000    
 C  -0.3965000       1.157300      0.6137000    
 C   -2.272000       2.627100       1.098300    
 C  -0.8892000       2.385500       1.058100    
 C    1.595300       1.262000     -0.6331000    
 C    3.796800       1.293700      -1.800100    
 C    1.824800      -3.300900       1.299700    
 H   -3.884900      -1.251300      0.6791000    
 H   -4.156100     -0.5693000     -0.9491000    
 H   -1.302400      -2.160600      -2.624500    
 H   -3.077400      -2.066100      -2.688500    
 H   -2.086800     -0.5913000      -2.644200    
 H   -3.210200      -3.561400     -0.5412000    
 H   -1.433200      -3.643700     -0.5700000    
 H   -2.249400      -3.090100      0.8799000    
 H   -4.246200       1.825700      0.7387000    
 H   -2.639400       3.587100       1.450800    
 H  -0.2035000       3.165200       1.379900    
 H    4.559300       2.030100      -1.527500    
 H    3.195700       1.701000      -2.617800    
 H    4.276600      0.3730000      -2.145900    
 H   0.8774000      -3.361700       1.843000    
 H    2.561600      -3.920000       1.822100    
 H    1.661400      -3.677600      0.2843000    


%chk=000055523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055523

0 1
S 3.901670 0.574145 0.747647
S 4.154002 -1.732147 0.964537
O -0.884080 -1.044476 -0.397770
O 1.033659 1.000503 0.552870
O 0.887815 1.190547 -1.795521
O 2.927264 -2.271011 2.159003
N 2.946526 0.802841 -0.736779
C -2.172142 -1.655945 -0.983450
C -3.325149 -0.962299 -0.179222
C -2.661700 0.282988 0.391805
C -1.264319 0.146817 0.224514
C -2.184959 -1.264112 -2.470607
C -2.067241 -3.166144 -0.760019
C -3.190034 1.411166 1.041185
C -0.382283 1.145014 0.676054
C -2.300304 2.408605 1.520239
C -0.904202 2.275841 1.335914
C 1.562344 1.002561 -0.758276
C 3.659988 0.687152 -2.028418
C 1.539429 -2.330185 1.642083
H -3.692996 -1.620961 0.631590
H -4.180245 -0.729488 -0.838016
H -1.272705 -1.630791 -2.970504
H -3.066970 -1.699840 -2.975776
H -2.217375 -0.166549 -2.584176
H -2.968894 -3.672190 -1.150582
H -1.186985 -3.576785 -1.284389
H -1.975084 -3.397355 0.315451
H -4.270836 1.521878 1.180932
H -2.693082 3.293618 2.030522
H -0.208947 3.042501 1.691586
H 4.552664 1.333410 -2.018859
H 2.978197 1.002392 -2.832573
H 3.967849 -0.360227 -2.201233
H 0.977689 -2.833903 2.446315
H 1.475122 -2.907277 0.701859
H 1.148912 -1.311394 1.481262


