%chk=000125050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125050

0 1
 S    1.577400       2.140000      0.5818000    
 O    4.982400      -1.913800      0.7772000    
 O   -5.822200     -0.8822000      1.8800000E-02
 N    3.120100      7.2600000E-02  0.1204000    
 N    1.912200      0.9713000      -1.742400    
 N  -0.4966000      0.5277000      0.6854000    
 N  -0.8831000       2.775300     -0.1226000    
 C    2.670700      -1.182000      0.7188000    
 C    4.503900      0.4361000      0.4152000    
 C    3.661900      -2.287200      0.3751000    
 C    5.414700     -0.7398000      8.4700003E-02
 C    2.270100      0.9186000     -0.5040000    
 C  -0.1355000       1.732200      0.3618000    
 C    2.486400     -3.3599999E-02  -2.627700    
 C   -1.844400      0.1709000      0.5167000    
 C   -2.268300     -0.3784000     -0.6899000    
 C   -2.747500      0.3683000       1.557300    
 C   -4.515700     -0.5373000      0.1825000    
 C   -3.606800     -0.7332000     -0.8574000    
 C   -4.086100      1.3400000E-02   1.389700    
 C   -6.193800      -1.438800      -1.241300    
 H    1.673500      -1.458200      0.3589000    
 H    2.614000      -1.051500       1.805700    
 H    4.582600      0.6837000       1.480300    
 H    4.813300       1.315600     -0.1607000    
 H    3.660300      -2.509200     -0.6987000    
 H    3.396500      -3.206900      0.9058000    
 H    6.439200     -0.5209000      0.4014000    
 H    5.434600     -0.9424000     -0.9928000    
 H    2.150200      -1.040100      -2.358900    
 H    3.580500      4.6999999E-03  -2.629200    
 H    2.151700      0.1618000      -3.651200    
 H   -1.565400     -0.5345000      -1.504200    
 H   -2.421200      0.7963000       2.501300    
 H   -3.872700      -1.155600      -1.820300    
 H   -4.789400      0.1686000       2.203300    
 H   -1.878900       2.690900     -0.2937000    
 H  -0.4549000       3.671700     -0.3275000    
 H   -5.684400      -2.390600      -1.426800    
 H   -6.045500     -0.7228000      -2.056900    
 H   -7.266400      -1.653900      -1.196000    


%chk=000125050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125050

0 1
S 1.697230 2.594879 0.278047
O 4.454778 -2.009877 1.239034
O -5.399709 -1.773347 0.041570
N 3.200392 0.259855 -0.008958
N 2.268035 1.263152 -2.033815
N -0.335023 0.756836 0.465910
N -0.952513 3.059972 0.055906
C 2.848909 -0.101424 1.385239
C 4.568645 -0.156149 -0.401152
C 3.072370 -1.613398 1.576214
C 4.750840 -1.666892 -0.159647
C 2.469042 1.185833 -0.754307
C -0.064734 2.013154 0.244206
C 2.614624 0.144650 -2.931780
C -1.638543 0.197612 0.319727
C -2.442503 0.393085 -0.837562
C -2.124201 -0.672920 1.337528
C -4.169208 -1.090516 0.060709
C -3.695206 -0.247574 -0.974105
C -3.374445 -1.301903 1.215900
C -6.244757 -1.598990 -1.139797
H 1.785274 0.137820 1.555499
H 3.478119 0.465428 2.102758
H 5.305407 0.396933 0.220675
H 4.756324 0.094750 -1.457334
H 2.356522 -2.177781 0.941129
H 2.938016 -1.899239 2.632279
H 5.798109 -1.970881 -0.323943
H 4.083495 -2.240605 -0.840127
H 1.835553 0.080401 -3.711558
H 2.691555 -0.838250 -2.417277
H 3.573527 0.342312 -3.452542
H -2.066527 1.018958 -1.655147
H -1.499528 -0.845329 2.219849
H -4.278977 -0.088763 -1.886195
H -3.753128 -1.967097 1.998081
H -1.954342 2.899340 0.162323
H -0.619388 3.971301 -0.249477
H -5.739252 -1.963010 -2.056065
H -6.536480 -0.538681 -1.275913
H -7.140902 -2.206846 -0.945983


