%chk=000129561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129561

0 1
 S    4.007300      -2.065800     -0.7441000    
 O    1.806600      3.1599998E-02  -1.003400    
 O   0.6224000       2.581300       1.236500    
 O    2.787500       2.851500     -0.3835000    
 N  -0.4095000     -8.2999997E-02 -0.1633000    
 N   -1.545600      -1.936800      0.3136000    
 N   -4.474700      0.2827000     -0.1525000    
 N   -4.544400      -2.038200      0.4108000    
 C    1.317900       1.410700      0.8589000    
 C   0.7385000      0.7886000     -0.4025000    
 C    2.747500       1.680900      0.4326000    
 C    3.063400      0.4660000     -0.4341000    
 C    3.656500     -0.6904000      0.3585000    
 C   -1.734900      0.2710000     -0.2163000    
 C  -0.3504000      -1.412900      0.1572000    
 C   -2.421000     -0.9013000      8.4299996E-02
 C   -2.372100       1.472900     -0.4915000    
 C   -3.815700     -0.8729000      0.1112000    
 C   -3.756500       1.396800     -0.4394000    
 C    4.677000      -3.232600      0.4670000    
 H    1.297100      0.7047000       1.697100    
 H   0.4213000       1.543800      -1.131500    
 H    3.429400       1.835400       1.273600    
 H    3.724100      0.7421000      -1.265300    
 H    2.953700      -1.038100       1.122400    
 H    4.582700     -0.3745000      0.8490000    
 H   0.6864000       3.218500      0.5048000    
 H    3.708800       2.974100     -0.6698000    
 H   0.5827000      -1.947400      0.2697000    
 H   -1.846100       2.388600     -0.7242000    
 H   -4.356900       2.280200     -0.6379000    
 H    3.926100      -3.465200       1.226400    
 H    5.568000      -2.816200      0.9442000    
 H    4.955600      -4.159000     -4.1999999E-02
 H   -5.554500      -1.998000      0.4263000    
 H   -4.063000      -2.904700      0.6095000    


%chk=000129561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129561

0 1
S 3.675893 -2.161203 -0.451707
O 2.094150 0.460460 -1.472652
O 0.655071 3.276478 0.165241
O 3.160634 3.100044 -0.386068
N -0.124082 -0.025751 -0.688573
N -1.083756 -2.103007 -0.595037
N -4.035968 -0.186732 0.777120
N -3.910172 -2.521641 0.432872
C 1.174359 1.929634 0.257503
C 0.844494 1.049171 -1.003537
C 2.733988 1.895458 0.338501
C 3.120750 0.595430 -0.403493
C 3.160468 -0.627613 0.529130
C -1.417443 0.175367 -0.174110
C 0.014223 -1.408003 -0.936521
C -1.988487 -1.128480 -0.121251
C -2.140154 1.322111 0.246433
C -3.321764 -1.277598 0.367544
C -3.445498 1.053345 0.708555
C 3.531919 -3.420197 0.940479
H 0.724863 1.479088 1.157206
H 0.439824 1.680932 -1.814642
H 3.100741 1.916423 1.382731
H 4.084269 0.697033 -0.935203
H 2.173833 -0.819053 0.987803
H 3.909284 -0.467043 1.327098
H 1.365306 3.825778 -0.271131
H 4.133551 3.244025 -0.302421
H 0.933447 -1.822329 -1.345674
H -1.735799 2.337178 0.222212
H -4.078548 1.879867 1.051203
H 2.492161 -3.468839 1.301278
H 4.218144 -3.168287 1.764965
H 3.815660 -4.392828 0.509913
H -4.865775 -2.596444 0.771959
H -3.394386 -3.338376 0.114571


