%chk=000226495.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226495

0 1
 S   -2.763600      -2.469300      7.3299997E-02
 O   -3.647200      -2.577300      -1.294600    
 O   -1.767800      -3.525100      2.8100001E-02
 O   -3.672900      -2.343200       1.197400    
 N   0.3616000       2.585000     -0.4106000    
 N    1.589500      7.7100001E-02 -0.5790000    
 N    2.181000      5.3700000E-02  0.5247000    
 C   -2.569600      0.3049000      3.2400001E-02
 C   -1.813800       1.495700     -8.4399998E-02
 C   -1.916300     -0.9351000     -5.8300000E-02
 C  -0.4268000       1.411300     -0.2884000    
 C   0.2060000      0.1709000     -0.3756000    
 C  -0.5374000      -1.000100     -0.2610000    
 C   -3.956600      0.3890000      0.2362000    
 C   -2.467300       2.735500      6.0000001E-03
 C   -4.589400       1.629300      0.3239000    
 C   -3.846100       2.800400      0.2089000    
 C    3.568400     -4.0600002E-02  0.3212000    
 C    4.329200       1.118300      0.2044000    
 C    4.170300      -1.292100      0.2383000    
 C    5.706300       1.024800      2.3000001E-03
 C    5.547300      -1.385700      3.6400001E-02
 C    6.315200     -0.2272000     -8.1600003E-02
 H  -1.4900000E-02  -1.949600     -0.3382000    
 H   -4.612600     -0.4709000      0.2860000    
 H   -1.945800       3.683800     -7.6099999E-02
 H   -5.664400       1.681700      0.4705000    
 H   -4.340400       3.765300      0.2745000    
 H    1.358500       2.486600     -0.5565000    
 H  -2.9500000E-02   3.512200     -0.3547000    
 H   -3.129100      -2.591500      -2.133500    
 H    3.863100       2.097800      0.2697000    
 H    3.579500      -2.199700      0.3299000    
 H    6.304200       1.926700     -8.9299999E-02
 H    6.021700      -2.360600     -2.8700000E-02
 H    7.387400     -0.3001000     -0.2388000    


%chk=000226495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226495

0 1
S -2.543227 -2.052906 1.506654
O -3.237936 -2.874660 -0.021593
O -1.345088 -2.959914 2.103599
O -3.806815 -1.696481 2.461071
N 0.137169 2.599246 -1.302478
N 1.620249 0.618572 -0.268586
N 2.318760 -0.357215 0.261047
C -2.658504 0.470543 0.092043
C -1.994443 1.571845 -0.577888
C -1.815703 -0.567345 0.629914
C -0.542950 1.584564 -0.680785
C 0.219555 0.511894 -0.117285
C -0.438290 -0.572296 0.532597
C -4.085036 0.473625 0.184325
C -2.793601 2.621602 -1.127688
C -4.834406 1.518522 -0.367226
C -4.188353 2.601291 -1.028707
C 3.734976 -0.258219 0.103298
C 4.473174 -1.313875 0.704561
C 4.422328 0.780909 -0.588923
C 5.880411 -1.333515 0.619558
C 5.826511 0.753158 -0.669725
C 6.561393 -0.300856 -0.067275
H 0.173284 -1.380570 0.947491
H -4.590563 -0.343558 0.705229
H -2.322452 3.467848 -1.640382
H -5.926261 1.503830 -0.286618
H -4.781803 3.415419 -1.456975
H 1.156103 2.514126 -1.320469
H -0.323495 3.397425 -1.726262
H -3.736712 -3.686758 0.286827
H 3.917556 -2.098642 1.228218
H 3.844451 1.587136 -1.050550
H 6.444392 -2.148692 1.085110
H 6.358227 1.550085 -1.201916
H 7.654801 -0.314236 -0.135409


