%chk=000105287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105287

1 1
 S    4.605700      -2.162800      0.3458000    
 O   0.4197000       3.517600      0.4121000    
 O    5.301500      -3.208800     -0.6944000    
 O    3.652400      -2.886200       1.167500    
 O    5.641400      -1.334200      0.9359000    
 N    1.158700       1.594100     -0.5452000    
 C    2.031400      0.6539000      -1.177800    
 C  -0.1602000       1.412200     -0.1903000    
 C    2.795000     -0.2056000     -0.1742000    
 C    1.442700       2.823100     -0.1761000    
 C  -0.6129000       2.595200      0.3979000    
 C    3.723300      -1.206200     -0.8467000    
 C   -1.002600      0.3119000     -0.3319000    
 C   -2.313600      0.4596000      0.1438000    
 C   -1.905600       2.763800      0.8758000    
 C    2.725300       3.523100     -0.3257000    
 C   -2.752700       1.656400      0.7328000    
 C   -3.236900     -0.6504000      2.3800001E-02
 C   -3.333200      -1.589100       1.049800    
 C   -4.027200     -0.7774000      -1.117300    
 C   -4.222200      -2.657900      0.9342000    
 C   -4.916300      -1.845900      -1.232800    
 C   -5.013800      -2.786200     -0.2069000    
 H    2.737100       1.192200      -1.822200    
 H    1.443300      1.4600000E-02  -1.847200    
 H    2.077900     -0.7341000      0.4662000    
 H    3.372700      0.4422000      0.4963000    
 H    4.459800     -0.6989000      -1.477500    
 H    3.143800      -1.900700      -1.463700    
 H  -0.6620000     -0.6135000     -0.7849000    
 H   -2.240400       3.688200       1.329300    
 H    3.535400       2.954900      0.1404000    
 H    2.964800       3.663900      -1.383900    
 H    2.696600       4.510500      0.1458000    
 H   -3.776600       1.744200       1.093900    
 H   -2.723300      -1.503700       1.946000    
 H   -3.963400     -5.3399999E-02  -1.926100    
 H    4.693300      -3.868500      -1.103500    
 H   -4.298100      -3.390000       1.732800    
 H   -5.532800      -1.946100      -2.121300    
 H   -5.706000      -3.618300     -0.2970000    


%chk=000105287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105287

1 1
S 2.687702 -2.596369 -0.137975
O 0.412007 3.762087 -0.519358
O 2.837522 -2.131769 -1.942658
O 1.147183 -2.336742 0.301915
O 3.394044 -4.013290 0.139999
N 1.450927 1.785278 -0.659724
C 2.514210 0.760260 -0.808076
C 0.073561 1.489307 -0.404727
C 2.908795 0.159543 0.566920
C 1.611759 3.129317 -0.720248
C -0.572779 2.742041 -0.319357
C 3.780254 -1.089450 0.452053
C -0.626947 0.282176 -0.273123
C -2.027134 0.368753 -0.025393
C -1.941340 2.875875 -0.077230
C 2.835843 3.926008 -0.982714
C -2.646254 1.663686 0.073815
C -2.835913 -0.870267 0.141107
C -2.233070 -2.079735 0.592282
C -4.228450 -0.876445 -0.155926
C -3.002808 -3.249578 0.751431
C -4.995368 -2.048485 0.001487
C -4.386990 -3.239931 0.459965
H 3.383977 1.228226 -1.298652
H 2.137446 -0.024457 -1.487276
H 2.001260 -0.083369 1.149976
H 3.479258 0.902327 1.157826
H 4.162842 -1.438129 1.424662
H 4.576970 -1.058639 -0.306221
H -0.126839 -0.687377 -0.356599
H -2.432708 3.847769 0.002486
H 3.666492 3.632744 -0.317426
H 3.177543 3.805781 -2.027808
H 2.616622 4.991679 -0.817922
H -3.713934 1.718594 0.302631
H -1.166777 -2.115563 0.842836
H -4.715853 0.023363 -0.547329
H 2.589085 -2.919952 -2.506702
H -2.524095 -4.166654 1.109722
H -6.062870 -2.035319 -0.241067
H -4.983173 -4.149596 0.585899


