%chk=000089151.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089151

0 1
 S    1.554000      0.2817000       1.874300    
 O    1.207700     -0.9222000       2.623500    
 O    2.057400       1.434300       2.614900    
 O   -3.241300      -4.069000      -1.344500    
 O   -4.492500      -3.492400      0.3646000    
 N   0.1737000      0.7637000      0.9332000    
 N   -3.473700      -3.338100     -0.3514000    
 C   0.3928000       1.797900     -0.1122000    
 C  -0.7641000     -0.2913000      0.6030000    
 C    2.748000     -0.1536000      0.6773000    
 C  -0.8641000       2.555600     -0.4359000    
 C    3.629300      0.8112000      0.1890000    
 C    2.820900      -1.465600      0.2089000    
 C  -0.5127000      -1.100300     -0.4911000    
 C   -1.889400     -0.4649000       1.389600    
 C   -1.705400       2.092100      -1.439700    
 C   -1.170800       3.710600      0.2727000    
 C    4.656200     -0.8475000      -1.235900    
 C    4.583300      0.4642000     -0.7676000    
 C    3.775000      -1.812400     -0.7478000    
 C   -1.415500      -2.115000     -0.8091000    
 C   -2.792200      -1.479700       1.071800    
 C   -2.555200      -2.304900     -2.7500000E-02
 C   -2.872000       2.795100      -1.740000    
 C   -2.337600       4.413600     -2.7700000E-02
 C    5.676500      -1.218900      -2.258500    
 C   -3.188100       3.955700      -1.034100    
 H   0.8108000       1.356000      -1.024500    
 H    1.139600       2.519400      0.2418000    
 H    3.590400       1.839400      0.5374000    
 H    2.148300      -2.235200      0.5764000    
 H   0.3579000     -0.9605000      -1.123100    
 H   -2.078900      0.1756000       2.246300    
 H   -1.466600       1.200800      -2.011600    
 H  -0.5171000       4.074800       1.060400    
 H    5.265200       1.224500      -1.139300    
 H    3.823400      -2.838200      -1.103300    
 H   -1.200200      -2.735900      -1.675000    
 H   -3.669400      -1.597900       1.702900    
 H   -3.532400       2.440800      -2.526000    
 H   -2.584300       5.317000      0.5224000    
 H    5.314700      -2.028500      -2.901600    
 H    5.908300     -0.3707000      -2.911600    
 H    6.598400      -1.545900      -1.767600    
 H   -4.096200       4.503500      -1.268400    


%chk=000089151-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089151

0 1
S 1.711003 1.059525 1.688389
O 1.407644 0.274596 3.073555
O 2.274918 2.585430 1.678320
O -2.938154 -4.003607 -1.696868
O -2.662001 -4.644050 0.478232
N -0.008883 1.192972 0.692440
N -2.531799 -3.789757 -0.485923
C 0.083737 2.285516 -0.303185
C -0.605996 -0.046835 0.373052
C 2.852624 -0.000590 0.629881
C -1.272716 2.958978 -0.509295
C 3.643479 0.651516 -0.330241
C 2.872682 -1.389766 0.842813
C -1.062002 -0.344546 -0.949533
C -0.827324 -1.006483 1.412751
C -1.700952 3.299453 -1.815008
C -2.088955 3.295022 0.598855
C 4.549391 -1.555851 -0.962515
C 4.494696 -0.145914 -1.126704
C 3.731676 -2.160479 0.030690
C -1.702110 -1.562056 -1.227537
C -1.446204 -2.231447 1.131287
C -1.877048 -2.504018 -0.189594
C -2.925626 3.977916 -2.013023
C -3.314550 3.966659 0.400943
C 5.483070 -2.401444 -1.807408
C -3.736536 4.312200 -0.904916
H 0.495274 1.943611 -1.277932
H 0.796165 3.022311 0.117412
H 3.617280 1.741512 -0.429867
H 2.257839 -1.847143 1.623674
H -0.939253 0.383080 -1.754583
H -0.521105 -0.764637 2.433680
H -1.075515 3.043483 -2.680274
H -1.762157 3.018793 1.607092
H 5.128585 0.335462 -1.879638
H 3.768492 -3.246359 0.173695
H -2.060987 -1.801221 -2.232164
H -1.623540 -2.971695 1.915788
H -3.246486 4.239433 -3.027534
H -3.940272 4.221546 1.263486
H 4.991234 -3.330723 -2.145203
H 5.834197 -1.855282 -2.698896
H 6.376635 -2.699251 -1.225997
H -4.688346 4.833040 -1.056803


