%chk=000071195.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071195

0 1
 S   0.6093000       2.243900       1.729100    
 O  -0.3246000     -0.2486000      -1.877500    
 O    4.316500      -1.581900     -0.8883000    
 N   -2.436500      -3.482100      0.5571000    
 C  -0.2863000      0.1379000     -0.4925000    
 C  -0.9975000     -0.9331000      0.3548000    
 C    1.189000      0.2040000     -9.5799997E-02
 C   -1.047500       1.459900     -0.3848000    
 C   -2.437400      -1.121900     -0.1041000    
 C    1.667600       1.097300      0.8769000    
 C   -3.126200      -2.207900      0.7206000    
 C  -0.7230000       2.439600      0.5682000    
 C    2.107800     -0.7024000     -0.6681000    
 C   -2.161300       1.695100      -1.219800    
 C    3.026700       1.091600       1.234100    
 C   -1.478900       3.621300      0.6525000    
 C    3.456900     -0.6989000     -0.3115000    
 C   -2.904200       2.873200      -1.133000    
 C    3.917400      0.2020000      0.6382000    
 C   -2.560000       3.839100     -0.1980000    
 C   -3.075900      -4.521900       1.365200    
 C   -2.411900      -3.877800     -0.8522000    
 C    5.680000      -1.528200     -0.4710000    
 H  -0.4503000      -1.879500      0.2625000    
 H  -0.9795000     -0.6638000       1.419200    
 H   -3.023800     -0.2226000      0.1072000    
 H   -2.528900      -1.309000      -1.177900    
 H   -3.117700      -1.911600       1.777400    
 H   -4.178700      -2.280800      0.4162000    
 H    1.776500      -1.436600      -1.399400    
 H   -2.461100      0.9709000      -1.973700    
 H  -0.3811000      -1.217200      -1.935400    
 H    3.407000       1.780600       1.985900    
 H   -1.235600       4.387100       1.386400    
 H   -3.749200       3.032700      -1.796200    
 H    4.948900      0.2625000      0.9672000    
 H   -3.135100       4.757100     -0.1241000    
 H   -2.523100      -5.464800       1.288100    
 H   -4.113200      -4.703100       1.060700    
 H   -3.070700      -4.243000       2.424800    
 H   -1.731700      -3.259800      -1.445500    
 H   -3.408100      -3.859100      -1.309400    
 H   -2.021600      -4.898100     -0.9524000    
 H    5.785300      -1.771300      0.5917000    
 H    6.140700     -0.5674000     -0.7245000    
 H    6.219900      -2.299300      -1.030400    


%chk=000071195-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071195

0 1
S 0.411438 2.455176 1.520099
O -0.507158 -1.335042 -0.910389
O 4.321856 -1.755579 -0.402552
N -2.520562 -2.886817 -0.262830
C -0.358234 -0.267569 0.054675
C -0.949160 -0.694556 1.453542
C 1.145251 0.005853 0.265534
C -1.054687 1.023287 -0.442327
C -2.458928 -1.053869 1.493948
C 1.597320 1.166633 0.948108
C -2.777894 -2.532503 1.171995
C -0.834547 2.279823 0.177513
C 2.096409 -0.930403 -0.180476
C -1.952341 0.973096 -1.535522
C 2.969521 1.365781 1.197560
C -1.538901 3.435777 -0.230743
C 3.473999 -0.740254 0.078603
C -2.663223 2.118600 -1.955130
C 3.920216 0.408156 0.778359
C -2.471095 3.351055 -1.287992
C -2.167269 -4.319913 -0.445780
C -3.650157 -2.489197 -1.146765
C 5.756914 -1.599084 -0.165781
H -0.349427 -1.560804 1.798038
H -0.760522 0.128076 2.167106
H -2.837637 -0.861578 2.517143
H -3.031037 -0.376919 0.829800
H -2.133805 -3.178955 1.797203
H -3.834290 -2.764971 1.437169
H 1.748105 -1.805510 -0.733706
H -2.050623 0.017102 -2.058972
H -1.304747 -1.976478 -0.653809
H 3.305264 2.275457 1.706794
H -1.339090 4.396501 0.256166
H -3.354709 2.054289 -2.802874
H 4.980839 0.579774 0.983490
H -3.016154 4.246977 -1.605595
H -1.940926 -4.507987 -1.509647
H -2.988374 -5.002677 -0.133223
H -1.264902 -4.554693 0.143653
H -3.870433 -1.417625 -1.010727
H -4.571951 -3.073007 -0.929620
H -3.366593 -2.650817 -2.201146
H 5.988072 -1.565962 0.917592
H 6.150887 -0.685919 -0.654158
H 6.222184 -2.488624 -0.615824


