%chk=000090425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090425

0 1
 S    1.430900       1.305700      2.2500001E-02
 O   -3.457100       1.138300      4.3299999E-02
 O    4.538200      -1.010400     -3.2400001E-02
 O    4.347700       1.176300      3.1000001E-03
 N   -1.191100      0.8595000      3.2800000E-02
 N   -2.683800      -1.009200      1.3400000E-02
 N   0.2666000      -1.002100     -4.4000000E-03
 N    3.816900      2.8400000E-02 -1.1200000E-02
 C   -4.607600      0.3419000     -0.1904000    
 C   -4.146200      -1.065500      9.5799997E-02
 C   -2.413800      0.2594000      3.1099999E-02
 C   4.6500001E-02  0.2929000      1.6600000E-02
 C    2.422600     -9.3199998E-02 -3.8999999E-03
 C    1.630100      -1.221900     -1.6400000E-02
 H   -4.919600      0.4700000      -1.232200    
 H   -5.425600      0.6512000      0.4664000    
 H   -4.440200      -1.382200       1.102600    
 H   -4.562700      -1.779300     -0.6212000    
 H   -1.212700       1.877200      4.6900000E-02
 H    1.991400      -2.242000     -3.4200002E-02


%chk=000090425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090425

0 1
S 1.526227 1.455857 -0.096506
O -3.489238 1.183900 -0.106394
O 4.576705 -1.143983 0.093400
O 4.502095 1.151451 -0.061539
N -1.199951 0.884237 -0.069538
N -2.722076 -1.036959 0.021268
N 0.337288 -0.980483 0.060794
N 3.939139 -0.017467 0.014310
C -4.743814 0.357995 -0.072166
C -4.220825 -1.121781 0.010767
C -2.435159 0.225885 -0.044441
C 0.056350 0.318090 -0.026642
C 2.506675 -0.064739 0.009938
C 1.703272 -1.198890 0.081111
H -5.305318 0.579001 -0.993741
H -5.319371 0.675046 0.811991
H -4.558710 -1.633236 0.928495
H -4.540468 -1.726803 -0.855155
H -1.275184 1.902556 -0.128448
H 2.092864 -2.214680 0.150697


