%chk=000055516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055516

0 1
 S    3.383900       1.038800      0.9674000    
 O   -1.059900      -1.129400      3.0400001E-02
 O   0.5199000       1.193000      0.5824000    
 O    2.720100     -0.4589000       1.276500    
 O   0.6168000       1.634400      -1.688600    
 N    2.606800       1.352000     -0.5264000    
 C   -2.184400      -1.948200     -0.4036000    
 C   -3.499000      -1.198900     -8.3300002E-02
 C   -2.967800      0.1603000      0.1646000    
 C   -1.585900      0.1182000      0.2384000    
 C   -2.027000      -2.194100      -1.909400    
 C   -2.106800      -3.275900      0.3517000    
 C   -3.652700       1.346200      0.3600000    
 C  -0.8336000       1.245400      0.5080000    
 C   -2.912500       2.501100      0.6253000    
 C   -1.511100       2.450700      0.6997000    
 C    1.213700       1.412200     -0.6352000    
 C    3.002600      -1.438100      0.2868000    
 C    4.508500      -1.626800      0.1847000    
 C    2.292200      -2.733900      0.6472000    
 C    3.476300       1.552100      -1.676600    
 H   -3.980500      -1.578000      0.8247000    
 H   -4.214200      -1.227800     -0.9108000    
 H   -2.825500      -2.835000      -2.297000    
 H   -2.038900      -1.250600      -2.466700    
 H   -1.062900      -2.668200      -2.126400    
 H   -2.929400      -3.943600      7.6600000E-02
 H   -1.159200      -3.786900      0.1466000    
 H   -2.138700      -3.110200       1.434600    
 H   -4.735700       1.383600      0.3145000    
 H   -3.425000       3.446600      0.7811000    
 H  -0.9567000       3.361500      0.9114000    
 H    2.603300      -1.138200     -0.6888000    
 H    4.745200      -2.495500     -0.4398000    
 H    5.023700     -0.7733000     -0.2646000    
 H    4.953300      -1.789600       1.173300    
 H    2.461000      -3.507200     -0.1083000    
 H    1.214800      -2.566600      0.7419000    
 H    2.636600      -3.110200       1.616800    
 H    3.987400      0.6159000      -1.916400    
 H    4.211700       2.330700      -1.450800    
 H    2.898400       1.863100      -2.551400    


%chk=000055516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055516

0 1
S 3.187960 1.008726 0.597654
O -1.414393 -0.922691 -0.345971
O 0.326528 1.392628 0.317321
O 3.069896 -0.714439 1.199354
O 0.202026 1.119257 -2.023798
N 2.257385 1.012787 -0.910945
C -2.649216 -1.717909 -0.804579
C -3.848421 -1.028635 -0.067313
C -3.290232 0.332588 0.323694
C -1.888295 0.296331 0.138023
C -2.725785 -1.536776 -2.330348
C -2.400797 -3.168073 -0.383464
C -3.909594 1.480891 0.844677
C -1.093169 1.417165 0.442414
C -3.106554 2.603913 1.175254
C -1.707142 2.570313 0.973064
C 0.861488 1.156840 -0.961142
C 4.059673 -1.678767 0.608443
C 5.490640 -1.354064 1.060689
C 3.552493 -3.040429 1.102337
C 2.931195 0.739290 -2.204709
H -4.144100 -1.606074 0.830247
H -4.730287 -0.957543 -0.728377
H -3.571828 -2.116173 -2.744908
H -2.862839 -0.472647 -2.590259
H -1.791609 -1.883755 -2.803304
H -3.258158 -3.802569 -0.674035
H -1.494233 -3.563667 -0.873149
H -2.265023 -3.238422 0.709406
H -4.993846 1.511495 0.998034
H -3.569150 3.507755 1.584237
H -1.077488 3.431435 1.217445
H 3.983534 -1.625086 -0.497474
H 6.208602 -2.074122 0.625578
H 5.784126 -0.338352 0.739067
H 5.564664 -1.408184 2.161472
H 4.194246 -3.851005 0.710153
H 2.515219 -3.210641 0.768617
H 3.573600 -3.077545 2.205621
H 2.718051 -0.287359 -2.554403
H 4.014728 0.870064 -2.064916
H 2.564903 1.444149 -2.969206


