%chk=000163048.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163048

0 1
 S    1.307700      0.1409000     -0.3057000    
 O   -1.404800       1.125800      0.7912000    
 O    7.452300     -0.2554000      0.1506000    
 O    6.296300      -2.084300     -0.2204000    
 O   -6.766000      -2.055100      0.2916000    
 O   -7.373300     -0.3043000      -1.024700    
 N    3.917200     -0.6296000     -0.2022000    
 N    3.593800       1.546900      9.8600000E-02
 N    6.342300     -0.8347000     -2.9200001E-02
 C    3.045300      0.3956000     -0.1215000    
 C   0.7223000       1.850200     -9.6299998E-02
 C  -0.7916000       1.936600     -0.2101000    
 C    5.158400     -8.9000002E-02 -1.5799999E-02
 C    3.635600      -2.030300     -0.4366000    
 C    4.933000       1.255000      0.1673000    
 C   -2.648300      0.6428000      0.5214000    
 C   -3.514600       1.365700     -0.2988000    
 C   -3.057000     -0.5743000       1.066500    
 C   -5.198400     -0.3455000     -2.8600000E-02
 C   -4.789800      0.8715000     -0.5737000    
 C   -4.332000      -1.068500      0.7915000    
 C   -6.528400     -0.8599000     -0.3151000    
 H    1.185300       2.494200     -0.8510000    
 H    1.029800       2.194100      0.8973000    
 H   -1.081500       1.623800      -1.222500    
 H   -1.100600       2.977700     -5.9200000E-02
 H    2.566200      -2.207600     -0.5535000    
 H    4.127900      -2.339700      -1.362500    
 H    3.977100      -2.608700      0.4259000    
 H    5.662300       2.032600      0.3457000    
 H   -3.246400       2.329300     -0.7214000    
 H   -2.385800      -1.141300       1.705800    
 H   -5.452100       1.452500      -1.210100    
 H   -4.609400      -2.020000       1.236600    
 H   -7.664800      -2.393400      9.1700003E-02


%chk=000163048-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163048

0 1
S 1.849186 -0.066083 1.956005
O -1.293226 0.565868 1.518954
O 5.685271 0.216693 -3.025172
O 5.781215 -1.688136 -1.744676
O -6.899619 -1.483534 -0.746879
O -6.473574 0.085220 -2.406494
N 3.745780 -0.609254 -0.038776
N 2.758515 1.444168 -0.234186
N 5.303236 -0.506760 -2.019457
C 2.827118 0.286778 0.486219
C 0.853512 1.550079 1.996805
C -0.320887 1.557287 1.030832
C 4.296780 0.041003 -1.169157
C 4.053085 -1.952818 0.492798
C 3.671675 1.294780 -1.262167
C -2.452448 0.355290 0.765204
C -2.769364 1.058653 -0.426949
C -3.335193 -0.632593 1.274835
C -4.859644 -0.220372 -0.598645
C -3.970462 0.763967 -1.098522
C -4.529587 -0.917131 0.596961
C -6.108515 -0.485404 -1.348068
H 1.557722 2.357822 1.746705
H 0.519219 1.632379 3.043143
H 0.010692 1.315715 0.004024
H -0.785516 2.565861 1.031169
H 3.368368 -2.159135 1.330947
H 3.918054 -2.712363 -0.290903
H 5.095274 -2.000597 0.843656
H 3.845365 2.064175 -2.009046
H -2.100583 1.823052 -0.832267
H -3.060580 -1.156689 2.194828
H -4.238497 1.291764 -2.019740
H -5.217435 -1.675693 0.979677
H -7.716938 -1.610392 -1.298859


