%chk=000130924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130924

0 1
 S    5.590600      0.2200000     -0.5054000    
 O    1.010800      -1.919800      0.4173000    
 O   -3.952900      -1.841900     -0.5639000    
 O    5.954900      -1.228900     -0.6737000    
 N   -1.058200       1.639800      0.2445000    
 N   -1.262000     -0.4983000     -0.3287000    
 N   -4.876900      0.2194000      4.3800000E-02
 C  -0.4171000      0.4830000     -0.1027000    
 C    1.020500      0.4047000     -0.1949000    
 C   -2.405800       1.387600      0.2420000    
 C   -2.506400      4.7699999E-02 -0.1188000    
 C    1.691300     -0.7911000      6.6699997E-02
 C    1.743800       1.543800     -0.5517000    
 C    3.803300      0.2917000     -0.3852000    
 C    3.081900     -0.8476000     -2.8400000E-02
 C    3.134200       1.487300     -0.6470000    
 C   -3.774300     -0.5268000     -0.2137000    
 C   -3.509400       2.184500      0.5135000    
 C   -4.721900       1.521000      0.3918000    
 C    5.962500      0.6655000       1.211800    
 C   0.7850000      -2.132600       1.808700    
 C   -5.294100      -2.309000     -0.6260000    
 H  -0.6289000       2.525100      0.4796000    
 H    1.255700       2.488700     -0.7773000    
 H    3.587300      -1.786600      0.1834000    
 H    3.682700       2.382600     -0.9288000    
 H   -3.432900       3.226100      0.7941000    
 H   -5.651700       2.049700      0.5816000    
 H    7.045400      0.6252000       1.352200    
 H    5.483200     -3.9799999E-02   1.895200    
 H    5.611300       1.680700       1.411100    
 H    1.735900      -2.285600       2.328800    
 H   0.1761000      -3.033700       1.922500    
 H   0.2471000      -1.289900       2.254100    
 H   -5.864800      -1.762800      -1.384500    
 H   -5.780100      -2.237000      0.3527000    
 H   -5.271200      -3.363900     -0.9150000    


%chk=000130924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130924

0 1
S 5.772772 0.083418 -0.703552
O 1.489701 -2.126360 1.009051
O -4.020539 -1.764977 -0.701700
O 6.149683 -1.476486 -0.233239
N -0.991188 1.502881 0.587824
N -1.270782 -0.618664 -0.205316
N -4.926847 0.304087 0.011258
C -0.362070 0.303915 0.174532
C 1.107701 0.216192 0.091653
C -2.370427 1.330214 0.472655
C -2.523291 -0.006113 -0.020403
C 1.898177 -0.935686 0.425574
C 1.780205 1.360141 -0.444613
C 3.894051 0.221697 -0.362195
C 3.297458 -0.919938 0.162078
C 3.165411 1.387223 -0.677709
C -3.851789 -0.478004 -0.235764
C -3.483510 2.161957 0.742000
C -4.739411 1.581438 0.484943
C 6.323550 1.156861 0.804912
C 0.227545 -2.272977 1.755811
C -5.413634 -2.209376 -0.924193
H -0.511564 2.319502 0.963093
H 1.177794 2.224243 -0.748621
H 3.912538 -1.801211 0.387091
H 3.640105 2.268603 -1.121299
H -3.399867 3.184407 1.118827
H -5.656458 2.153866 0.661016
H 7.423013 1.132066 0.803236
H 5.912470 0.662274 1.696380
H 5.938652 2.180890 0.684026
H 0.069527 -1.413699 2.435332
H 0.367152 -3.194020 2.341497
H -0.621455 -2.359516 1.059623
H -5.911317 -1.565470 -1.668814
H -5.987664 -2.174318 0.017197
H -5.310792 -3.240262 -1.292490


