%chk=000059854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059854

0 1
 S    4.825000     -0.2473000      7.9000004E-02
 S  -0.5364000      -1.680500      3.7799999E-02
 O    5.525700      0.8969000      0.6434000    
 O    5.010700      -1.569200      0.6590000    
 O   -3.919700       1.542300     -2.2000000E-02
 O   -6.296400      0.5887000     -3.7799999E-02
 O   -5.482900      -1.546000     -1.3200000E-02
 N   -1.006800      0.8553000      1.0800000E-02
 N   -2.920900     -0.6045000      4.6000001E-03
 N    5.158700     -0.3293000      -1.594300    
 C    3.114300      0.1121000      5.7999998E-02
 C   0.8236000     -0.6206000      4.2199999E-02
 C   0.3721000      0.7025000      2.5599999E-02
 C    2.191600     -0.9372000      5.8699999E-02
 C    2.689100       1.436000      4.1400000E-02
 C    1.325600       1.743900      2.5100000E-02
 C   -1.579900     -0.3256000      1.4900000E-02
 C   -3.964500      0.3231000     -1.2600000E-02
 C   -5.328800     -0.3408000     -2.0700000E-02
 H    2.510600      -1.974900      6.4700000E-02
 H    3.402600       2.255800      3.3700000E-02
 H    1.004100       2.781500      1.0500000E-02
 H   -3.157100      -1.593500      1.0600000E-02
 H    5.711300      0.4314000      -2.008300    
 H    5.357300      -1.253500      -1.996300    
 H   -7.193100      0.1910000     -4.3800000E-02


%chk=000059854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059854

0 1
S 4.906055 -0.253149 0.050352
S -0.564177 -1.849892 0.049564
O 5.652539 1.040312 0.700751
O 5.087124 -1.778978 0.596523
O -3.915095 1.676020 -0.041630
O -6.471866 0.578388 -0.002480
O -5.521695 -1.546751 0.051580
N -1.044261 0.829467 -0.008779
N -3.038628 -0.538995 0.020793
N 5.372097 -0.281895 -1.723817
C 3.062469 0.110361 0.013104
C 0.821578 -0.689234 0.024673
C 0.350005 0.671392 -0.004713
C 2.193538 -0.991758 0.033408
C 2.653876 1.459625 -0.002196
C 1.275555 1.742439 -0.011459
C -1.667394 -0.323207 0.016233
C -4.052503 0.437353 -0.005894
C -5.416308 -0.295190 0.017246
H 2.589588 -2.010550 0.081448
H 3.400482 2.259158 0.020248
H 0.900928 2.769125 -0.019517
H -3.389759 -1.506530 0.047911
H 6.059074 0.471076 -1.894027
H 5.728943 -1.224335 -1.952820
H -7.336368 0.083346 0.014496


