%chk=000227017.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227017

0 1
 S  -0.4007000       3.280900     -0.4379000    
 O  -0.9979000       4.425400      0.2225000    
 O  -0.1692000       3.297600      -1.869500    
 O    1.532100     -0.8756000      -1.072000    
 O   -3.388900      -2.895700     -0.9733000    
 N    1.049900       2.867800      0.3531000    
 N   -3.809600      -1.409200      0.8078000    
 N    1.702700       1.652700     -0.1024000    
 C   -1.417500       1.882400     -6.6900000E-02
 C   -1.415600      0.7991000     -0.9276000    
 C   -2.195300       1.898600       1.077300    
 C   -3.008300     -0.3057000      0.5144000    
 C   -2.217600     -0.3040000     -0.6346000    
 C   -2.997200      0.7956000       1.370400    
 C    3.133300     -0.1776000      0.5726000    
 C    2.673000      -1.104600     -0.3627000    
 C    2.407700       1.061200      0.8169000    
 C    4.303100     -0.4314000       1.288600    
 C    3.382700      -2.285300     -0.5818000    
 C    5.012800      -1.612200       1.069500    
 C   -3.950600      -2.595500      7.5099997E-02
 C    4.552600      -2.539100      0.1343000    
 C   -4.919200      -3.546800      0.7321000    
 C    1.138000      -1.878400      -2.006000    
 H  -0.8070000      0.7847000      -1.826300    
 H   -2.194400       2.742500       1.760200    
 H   -2.174300      -1.118200      -1.344300    
 H   -3.606800      0.8068000       2.270400    
 H    1.195200       3.158600       1.327500    
 H   -4.356500      -1.333700       1.663100    
 H    2.519800       1.511700       1.820000    
 H    4.674800      0.2822000       2.019500    
 H    3.086900      -3.052000      -1.289400    
 H    5.923900      -1.809700       1.626800    
 H    5.105900      -3.458400     -3.5100002E-02
 H   -4.546200      -3.829400       1.720400    
 H   -5.026200      -4.447400      0.1212000    
 H   -5.897800      -3.069100      0.8333000    
 H   0.8927000      -2.821100      -1.505200    
 H    1.882400      -2.007500      -2.799200    
 H   0.2214000      -1.529500      -2.491900    


%chk=000227017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227017

0 1
S -0.404692 3.069899 -0.120073
O -0.971887 4.424007 0.582555
O 0.110311 3.074487 -1.661520
O 1.865963 -0.922591 -1.038368
O -3.541255 -3.234681 -0.264158
N 1.016930 2.472711 1.076864
N -4.520728 -1.322149 0.687128
N 1.625974 1.360961 0.555488
C -1.633806 1.682636 0.140747
C -1.320061 0.394277 -0.323750
C -2.840273 2.003872 0.783701
C -3.513467 -0.340294 0.483837
C -2.271542 -0.630976 -0.147571
C -3.788024 0.977659 0.947254
C 3.600093 -0.119754 0.452772
C 3.132325 -1.110910 -0.479189
C 2.874355 1.078119 0.876975
C 4.899981 -0.300517 1.009777
C 3.953462 -2.219700 -0.805587
C 5.714820 -1.400764 0.684318
C -4.509589 -2.676344 0.328044
C 5.233221 -2.364969 -0.228206
C -5.769957 -3.445800 0.714788
C 1.416455 -1.886954 -2.052857
H -0.343555 0.189734 -0.772158
H -3.025013 3.023396 1.136378
H -2.069376 -1.649739 -0.481199
H -4.743622 1.200280 1.437954
H 1.592525 3.317767 1.305906
H -5.364616 -0.990774 1.159758
H 3.448037 1.751419 1.546681
H 5.265916 0.452094 1.719559
H 3.602117 -2.977196 -1.511546
H 6.707229 -1.505217 1.133577
H 5.848931 -3.230792 -0.495194
H -5.495585 -4.251739 1.417477
H -6.184358 -3.927766 -0.186879
H -6.554677 -2.823528 1.178887
H 1.306065 -2.901144 -1.623897
H 2.109863 -1.913650 -2.914626
H 0.435607 -1.514669 -2.382747


