%chk=000178964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178964

0 1
 S  -0.2841000     -0.7938000      0.5997000    
 O   2.1500001E-02  -2.200400      0.1849000    
 O   -2.970300       1.659200     -0.5112000    
 O    1.429000       2.584800      0.2417000    
 N   -1.662300     -0.1883000     -0.1083000    
 N   0.9005000      0.3245000      0.2445000    
 N  -0.8101000       2.013200      0.2460000    
 C   -2.696800      -1.112700     -0.5627000    
 C   -3.986000     -0.9187000      0.2709000    
 C   -3.008900     -0.8015000      -2.035000    
 C   -2.170800      -2.551000     -0.4596000    
 C   -1.890500       1.184000     -0.1376000    
 C   -3.835700      -1.192300       1.763600    
 C   0.5731000       1.690300      0.2422000    
 C    2.266700     -0.1059000      8.6800002E-02
 C   -1.128400       3.430700      0.4122000    
 C    3.155800      0.6656000     -0.6584000    
 C    2.693900      -1.291700      0.6805000    
 C    4.478300      0.2493000     -0.8108000    
 C    4.016500      -1.707900      0.5281000    
 C    4.908600     -0.9373000     -0.2176000    
 H   -4.749500      -1.611600     -0.1101000    
 H   -4.430300      7.2499998E-02  0.1478000    
 H   -3.525200      0.1498000      -2.188600    
 H   -2.092500     -0.7785000      -2.637000    
 H   -3.660800      -1.573600      -2.461600    
 H   -1.416000      -2.798100      -1.216400    
 H   -1.962300      -2.917200      0.5512000    
 H   -3.001300      -3.210800     -0.7614000    
 H   -3.543800      -2.226700       1.963300    
 H   -3.102600     -0.5245000       2.224800    
 H   -4.794300      -1.024700       2.266600    
 H  -0.4348000       3.901800       1.115200    
 H   -2.149200       3.560500      0.7836000    
 H   -1.036400       3.920300     -0.5627000    
 H    2.857100       1.558600      -1.197200    
 H    2.072100      -1.898500       1.329300    
 H    5.169700      0.8410000      -1.403700    
 H    4.356700      -2.623900       1.002400    
 H    5.938500      -1.261300     -0.3362000    


%chk=000178964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178964

0 1
S -0.435937 -0.451392 1.605200
O 0.147536 -1.956092 1.563694
O -2.854276 1.832001 -0.442052
O 1.380911 2.871295 0.281366
N -1.571058 -0.070348 0.085482
N 1.022439 0.630137 0.861225
N -0.823770 2.129076 0.708506
C -2.434872 -1.065324 -0.666458
C -3.890090 -1.066597 -0.093900
C -2.447779 -0.629206 -2.159060
C -1.808109 -2.479686 -0.590365
C -1.826642 1.301506 0.071315
C -4.009622 -1.366036 1.414055
C 0.600177 1.924043 0.568873
C 2.155771 -0.024098 0.310180
C -1.223475 3.549256 0.901459
C 2.465076 0.111391 -1.071948
C 2.956360 -0.850885 1.140750
C 3.587753 -0.551069 -1.603457
C 4.062216 -1.532679 0.590295
C 4.384650 -1.381705 -0.777627
H -4.454977 -1.828799 -0.666998
H -4.346957 -0.085713 -0.313439
H -2.887645 0.371810 -2.285309
H -1.422720 -0.632536 -2.570415
H -3.052697 -1.355220 -2.732408
H -0.764709 -2.479532 -0.948019
H -1.813499 -2.909905 0.422331
H -2.400714 -3.140520 -1.247458
H -3.608134 -2.360547 1.679771
H -3.480779 -0.605714 2.019760
H -5.069996 -1.344138 1.723820
H -0.547856 4.003193 1.641533
H -2.262875 3.575022 1.259291
H -1.156387 4.117278 -0.041510
H 1.846354 0.756668 -1.703850
H 2.714631 -0.946390 2.203074
H 3.839950 -0.426066 -2.662044
H 4.675986 -2.173615 1.231888
H 5.250864 -1.903665 -1.198351


