%chk=000124668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124668

0 1
 S    1.274000     -0.1132000       1.435600    
 O   -5.131800      -2.591900      4.9199998E-02
 O   -3.234400       1.325500      -1.542900    
 O  -0.2799000       2.533300     -0.8094000    
 O  -0.5704000       3.176100       1.366800    
 N   -2.452800      0.6519000      0.5788000    
 N    4.100100      0.3624000     -0.5631000    
 C   -2.682600     -0.7460000      0.9982000    
 C   -3.457100     -0.9189000     -0.3374000    
 C   -1.277600      -1.296500       1.257300    
 C   -3.107200      0.5612000     -0.6130000    
 C   -4.936000      -1.210900     -0.2565000    
 C   -1.136100      0.9873000      0.7353000    
 C  -0.4155000     -6.4800002E-02   1.142200    
 C   -5.635400     -0.8896000      -1.572500    
 C  -0.6100000       2.369100      0.3974000    
 C    1.870500     -0.5853000     -0.2046000    
 C    3.368700     -0.7080000     -0.2498000    
 C    3.966200      -1.920900      3.1399999E-02
 C    5.438000      0.3134000     -0.6192000    
 C    3.451900       1.640700     -0.8573000    
 C    5.354700      -2.000700     -1.8999999E-02
 C    6.102500     -0.8740000     -0.3474000    
 H   -3.315400     -0.7830000       1.895100    
 H   -2.945700      -1.584900      -1.046700    
 H  -0.9993000      -2.053100      0.5165000    
 H   -1.211500      -1.731800       2.260200    
 H   -5.414100     -0.6283000      0.5398000    
 H   -6.682600      -1.209200      -1.534300    
 H   -5.611700      0.1796000      -1.800100    
 H   -5.170200      -1.430400      -2.404300    
 H   -4.718700      -2.760900      0.9131000    
 H    1.489500      0.1031000     -0.9634000    
 H    1.431300      -1.557600     -0.4618000    
 H    3.382600      -2.798800      0.2884000    
 H    5.972300       1.218600     -0.8816000    
 H    4.204100       2.421400      -1.006200    
 H    2.879300       1.538100      -1.782800    
 H    2.826800       1.939500     -1.4300000E-02
 H    5.853800      -2.940500      0.1976000    
 H    7.185300     -0.9234000     -0.3905000    


%chk=000124668-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124668

0 1
S 1.279970 -0.794486 1.280875
O -5.757276 -1.923929 0.890975
O -3.332927 0.678357 -2.311071
O 0.916935 1.405339 -1.380148
O -0.422211 2.984679 -0.321605
N -2.289352 0.533419 -0.094959
N 4.222091 0.496887 -0.027131
C -2.818798 -0.563695 0.802067
C -3.842817 -0.940704 -0.330425
C -1.554931 -1.394507 1.155930
C -3.184839 0.210641 -1.171331
C -5.344872 -0.826004 -0.015375
C -0.872992 0.645066 0.018817
C -0.417181 -0.419635 0.778407
C -6.211942 -0.959719 -1.268392
C -0.090040 1.788820 -0.607249
C 2.187069 -0.910824 -0.459577
C 3.647153 -0.744347 -0.344243
C 4.532054 -1.832589 -0.585511
C 5.593761 0.643514 0.045179
C 3.368807 1.698777 0.211590
C 5.924708 -1.688463 -0.520133
C 6.466927 -0.415497 -0.194921
H -3.291861 -0.138294 1.706254
H -3.637575 -1.925675 -0.787774
H -1.467892 -2.331473 0.568673
H -1.532015 -1.672186 2.223468
H -5.533248 0.155361 0.474403
H -7.276503 -0.832982 -1.009567
H -5.925859 -0.201743 -2.017840
H -6.081651 -1.961938 -1.713988
H -5.300414 -1.813987 1.764287
H 1.666135 -0.072042 -1.028069
H 1.945774 -1.900889 -0.870664
H 4.081256 -2.799061 -0.824743
H 5.950952 1.642717 0.301435
H 4.019147 2.573065 0.361095
H 2.672932 1.865328 -0.640115
H 2.741497 1.530100 1.102530
H 6.581916 -2.541808 -0.710142
H 7.543713 -0.246995 -0.126209


