%chk=000147505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147505

0 1
 S    5.984500      -1.378500       1.452400    
 S    5.577600     -0.3634000      -1.317200    
 O   -3.360900      0.5314000      -2.018900    
 O   -2.579200      -2.567400     -0.1012000    
 O  -0.6501000       3.937400      0.5094000    
 O    1.434400     -0.8077000     -0.8114000    
 O   -1.971800      -3.960700       1.627800    
 N   -3.830400      8.8600002E-02   1.691300    
 N   -2.358000       1.691800     -0.2050000    
 N    3.195500       1.116000     -7.7500001E-02
 N   -3.747400      -4.470100      0.2586000    
 C   -3.965800      3.9299998E-02  0.2377000    
 C   -2.844600      0.3824000     -0.6960000    
 C   -4.299700       1.279900       1.005600    
 C   -3.317100       2.363200      0.6626000    
 C   -1.557100     -0.5038000     -0.7370000    
 C  -0.9858000       1.698500     -0.1323000    
 C  -0.4693000      0.5106000     -0.4442000    
 C   -1.529600      -1.678300      0.2353000    
 C  -0.1574000       2.846500      0.2434000    
 C   0.9760000      0.2781000     -0.4698000    
 C   -3.695300     -0.7254000      -2.585900    
 C    1.325600       2.615800      0.2702000    
 C    1.862100       1.421700     -6.3699998E-02
 C    2.124500       3.821600      0.6885000    
 C   -2.699900      -3.688400      0.6793000    
 C    3.769400      5.4499999E-02  0.7044000    
 C    5.267500     -3.6699999E-02  0.4454000    
 C    6.682500      -2.350700      8.8299997E-02
 C    5.819800      -2.146400      -1.140100    
 H   -4.776200     -0.5642000     -0.1375000    
 H   -5.323300       1.581300       1.153700    
 H   -2.858300      0.2088000       1.970100    
 H   -2.853500       2.767300       1.568600    
 H   -3.810200       3.172900      0.1161000    
 H   -1.357600     -0.8876000      -1.742300    
 H   -1.609500      -1.357800       1.278600    
 H  -0.5787000      -2.216000      0.1350000    
 H   -4.482600     -0.5454000      -3.325200    
 H   -2.847300      -1.137200      -3.140200    
 H   -4.078900      -1.466800      -1.882800    
 H    3.191200       3.614700      0.8080000    
 H    1.767700       4.197700       1.653700    
 H    2.021700       4.619600     -5.4400001E-02
 H    3.805700       1.919700     -0.1996000    
 H    3.596100      0.2725000       1.766700    
 H    3.297700     -0.9130000      0.5051000    
 H    5.761700      0.9031000      0.7125000    
 H   -4.322400      -4.200900     -0.5326000    
 H   -3.979100      -5.339900      0.7263000    
 H    6.716900      -3.407400      0.3702000    
 H    7.712600      -2.021900     -8.9299999E-02
 H    6.306700      -2.548600      -2.033300    
 H    4.846600      -2.638400      -1.036800    


%chk=000147505-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147505

0 1
S 5.931593 -2.407646 0.373715
S 6.152237 0.652678 0.743963
O -3.570809 0.255226 -1.934447
O -3.039176 -2.713615 0.357614
O -0.472376 3.768971 0.044131
O 1.175040 -1.506785 -0.449164
O -2.597472 -3.875893 2.362809
N -3.814565 0.760809 1.877350
N -2.345921 1.555809 -0.396711
N 3.154194 0.618163 -0.297458
N -4.361278 -4.477276 0.933180
C -4.119865 0.270239 0.474146
C -2.993201 0.224730 -0.572549
C -4.332119 1.736495 0.839467
C -3.291947 2.583883 0.085695
C -1.804736 -0.808703 -0.482000
C -0.985724 1.431983 -0.286054
C -0.583784 0.101974 -0.369815
C -1.876755 -1.832657 0.657545
C -0.025014 2.569390 -0.101479
C 0.797119 -0.276348 -0.372461
C -4.414777 -0.899839 -2.281463
C 1.381869 2.217672 -0.101637
C 1.803039 0.878841 -0.259957
C 2.383700 3.343366 0.056887
C -3.277440 -3.718134 1.321671
C 3.895359 -0.645729 -0.462819
C 4.939454 -0.805504 0.660848
C 7.596031 -1.577366 -0.022242
C 7.346156 -0.142791 -0.492098
H -4.927641 -0.459101 0.408707
H -5.317564 2.163078 1.037870
H -2.795485 0.884666 2.046202
H -2.758508 3.324652 0.702546
H -3.765155 3.106658 -0.765389
H -1.772029 -1.369333 -1.435076
H -2.025227 -1.371251 1.649153
H -0.955572 -2.438555 0.677431
H -4.516391 -0.862217 -3.377344
H -3.946868 -1.856459 -1.978866
H -5.418840 -0.822560 -1.820549
H 3.043553 3.200629 0.936875
H 1.836934 4.289520 0.195163
H 3.031495 3.459245 -0.836334
H 3.772644 1.435475 -0.213734
H 3.178833 -1.481315 -0.449590
H 4.414905 -0.647875 -1.441965
H 4.465150 -0.866311 1.653433
H -4.844354 -4.289453 0.058687
H -4.653507 -5.244065 1.532080
H 8.066964 -2.183638 -0.814970
H 8.212914 -1.596720 0.889266
H 8.267058 0.464017 -0.468487
H 6.904856 -0.108729 -1.501177


