%chk=000113368.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113368

1 1
 S   2.9500000E-02   2.948100      7.2099999E-02
 O   -4.114000      5.0500002E-02  2.0800000E-02
 O   0.6938000       3.129700      -1.407300    
 O   -1.044800       3.918600      0.1847000    
 O    1.099300       2.896000       1.051600    
 O    4.256400      -2.024700     -1.3500000E-02
 O    4.188400      0.1692000      2.5400000E-02
 N    3.614900     -0.9466000      5.5000000E-03
 N   -2.702600      -2.312100     -2.3000000E-02
 N   -3.241400      -3.255800     -4.1499998E-02
 C   5.5599999E-02  0.1666000      2.3600001E-02
 C  -0.6116000      -1.081200      1.1000000E-03
 C  -0.7008000       1.349600      4.4399999E-02
 C   -2.015800      -1.109200      3.0000001E-04
 C    1.459800      0.1947000      2.4499999E-02
 C   -2.095000       1.303200      4.3699998E-02
 C   0.1447000      -2.264300     -1.9800000E-02
 C   -2.751300      7.6099999E-02  2.1800000E-02
 C    2.195400     -0.9906000      4.0000002E-03
 C    1.539200      -2.217700     -1.8300001E-02
 H    2.009000       1.126000     -1.5300000E-02
 H   -2.694300       2.209000      5.6400001E-02
 H  -0.3299000      -3.242300     -3.7500001E-02
 H    2.079600      -3.160800     -3.4899998E-02
 H   -4.451100      0.9626000      3.7500001E-02
 H   6.0400002E-02   3.101900      -2.162500    


%chk=000113368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113368

1 1
S -0.038129 3.075633 0.059481
O -4.204747 -0.112840 0.057976
O 0.589753 2.895607 -1.656482
O -1.292649 4.085514 0.136851
O 1.189274 3.160593 1.098515
O 4.306591 -2.083698 -0.054195
O 4.230726 0.202962 -0.095970
N 3.685347 -0.958640 -0.060269
N -2.765496 -2.323020 0.044963
N -3.376245 -3.310624 0.052809
C 0.047322 0.136117 0.014616
C -0.617921 -1.155624 0.021704
C -0.786782 1.299189 0.023863
C -2.072277 -1.149356 0.036259
C 1.476001 0.185662 -0.007347
C -2.175123 1.298074 0.034140
C 0.154667 -2.348320 0.006615
C -2.851752 0.052218 0.044808
C 2.185798 -1.012644 -0.026007
C 1.553094 -2.283038 -0.015927
H 2.021748 1.133713 -0.003954
H -2.719964 2.251937 0.039789
H -0.328444 -3.330838 0.010907
H 2.171893 -3.184922 -0.027731
H -4.735108 0.725414 0.065531
H 1.025823 3.747429 -1.957145


