%chk=000121917.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121917

0 1
 S   -3.712000      0.7724000      -1.416400    
 O   -2.247500       2.572500      0.5695000    
 O   -3.836900      3.9299998E-02  -2.722800    
 O    6.611700     -0.2404000      0.7233000    
 N    4.381700      8.0499999E-02  0.2959000    
 N    4.298900       1.417300      0.4945000    
 N    2.990000      -1.630900     -0.4112000    
 N    5.307900      -2.024100      8.9500003E-02
 C    2.212000      0.7682000     -0.1199000    
 C   0.7849000      0.7754000     -0.4266000    
 C    3.152900     -0.3922000     -0.1123000    
 C    3.002600       1.785000      0.2736000    
 C  -7.9800002E-02   1.675300      0.2156000    
 C   -1.959200      0.7885000      -1.016700    
 C   0.2526000     -0.1177000      -1.369100    
 C   -1.443500       1.681900     -7.7699997E-02
 C   -1.111000     -0.1111000      -1.662600    
 C    5.514400     -0.6875000      0.3974000    
 C   -4.122500     -0.4382000     -0.1366000    
 C    4.120800      -2.417200     -0.2816000    
 C   -4.465200      1.9000000E-03   1.133500    
 C   -4.089500      -1.790800     -0.4420000    
 C   -4.781700     -0.9317000       2.120500    
 C   -4.406200      -2.724400      0.5450000    
 C   -1.623300       3.442600       1.510900    
 C   -4.752200      -2.294700       1.826100    
 H    2.744600       2.827600      0.3804000    
 H   0.3664000       2.342700      0.9453000    
 H   0.8899000     -0.8206000      -1.899500    
 H    5.077600       2.042700      0.3405000    
 H   -1.482600     -0.8192000      -2.398200    
 H    3.988800      -3.484900     -0.5211000    
 H   -4.499400       1.060100       1.376100    
 H   -3.820000      -2.151700      -1.430200    
 H   -5.052500     -0.5971000       3.117600    
 H   -4.382300      -3.785900      0.3164000    
 H  -0.8988000       4.109000       1.030300    
 H   -1.194200       2.888500       2.352900    
 H   -2.410200       4.081800       1.925400    
 H   -4.998800      -3.021700       2.594500    


%chk=000121917-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121917

0 1
S -3.567581 0.412099 -1.559940
O -2.281622 2.384623 0.385174
O -3.506545 -0.787082 -2.725594
O 6.922582 0.034410 0.690775
N 4.639119 0.155192 0.241412
N 4.384521 1.242871 1.045488
N 3.476429 -1.331528 -1.214407
N 5.901366 -1.540096 -0.804117
C 2.402519 0.629051 0.090370
C 0.975522 0.585370 -0.275817
C 3.451594 -0.262648 -0.370783
C 3.041723 1.535386 0.961559
C 0.065486 1.541951 0.262189
C -1.751331 0.486255 -0.966493
C 0.498739 -0.408375 -1.171843
C -1.301801 1.494393 -0.083388
C -0.868804 -0.445011 -1.518958
C 5.952329 -0.463922 0.062979
C -4.289929 -0.518965 -0.036588
C 4.719065 -1.896969 -1.369334
C -4.590371 0.156406 1.159861
C -4.561123 -1.880167 -0.240495
C -5.177217 -0.588553 2.211527
C -5.144894 -2.611363 0.820346
C -1.845631 3.499694 1.231184
C -5.451187 -1.966842 2.042449
H 2.631603 2.367088 1.527837
H 0.422898 2.318157 0.945955
H 1.201961 -1.134008 -1.589641
H 5.162997 1.657992 1.561412
H -1.279814 -1.177898 -2.226213
H 4.760241 -2.758541 -2.043669
H -4.367165 1.221478 1.274851
H -4.318852 -2.325727 -1.214276
H -5.422419 -0.091382 3.156670
H -5.365404 -3.676438 0.689713
H -1.109809 4.135386 0.702477
H -1.415030 3.134186 2.183452
H -2.756871 4.080549 1.434594
H -5.908893 -2.535821 2.859483


