%chk=000111322.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111322

0 1
 S   0.4486000     -0.3023000       1.104600    
 O   -2.788400      -1.985600       1.108800    
 O   -2.245100      -1.747200      -1.079100    
 O   -4.876600      0.5144000      0.8230000    
 O    3.925700      -2.205500     -0.7371000    
 O    1.935400      -2.246100      0.1881000    
 N  -0.6852000      0.4363000      0.1535000    
 N   -5.198700       1.142600      -1.366300    
 N    2.946700      -1.625300     -0.2134000    
 C   -2.108400      0.1917000      0.3999000    
 C   -2.945300       1.122700     -0.4798000    
 C   -2.369200      -1.261200      3.8100000E-02
 C    1.926600      0.5006000      0.5063000    
 C   -4.426700      0.8984000     -0.2541000    
 C    2.984900     -0.2089000     -6.9300003E-02
 C    2.012100       1.890500      0.6254000    
 C    4.118700      0.4661000     -0.5214000    
 C    3.145900       2.565600      0.1731000    
 C    4.199100       1.853400     -0.4003000    
 H   -2.349300      0.3649000       1.456500    
 H   -2.730900       2.172100     -0.2441000    
 H   -2.714000      0.9660000      -1.541200    
 H  -0.4761000      0.2990000     -0.8354000    
 H    1.209300       2.471000       1.074300    
 H    4.962500     -4.8300002E-02 -0.9743000    
 H    3.209400       3.645600      0.2688000    
 H    5.081800       2.379500     -0.7519000    
 H   -4.803400       1.460500      -2.245400    
 H   -6.205400       1.019300      -1.338900    
 H   -2.965700      -2.920500      0.8704000    


%chk=000111322-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111322

0 1
S 0.565262 -1.272563 -0.543740
O -2.454123 -2.103304 0.658455
O -3.853516 -1.345824 -1.030824
O -3.552852 2.752405 0.977602
O 4.667952 -1.925486 1.013355
O 2.588673 -2.565950 0.316395
N -0.768916 -0.201752 -1.154613
N -5.008246 1.220534 0.001336
N 3.496516 -1.655530 0.548015
C -1.940918 0.068956 -0.283924
C -2.679918 1.321433 -0.817517
C -2.872189 -1.157778 -0.267499
C 1.839852 0.040972 -0.255261
C -3.777020 1.833945 0.134735
C 3.132153 -0.269109 0.254168
C 1.548068 1.398876 -0.524677
C 4.104171 0.735387 0.491123
C 2.508048 2.401948 -0.292561
C 3.791206 2.075303 0.218444
H -1.567266 0.247121 0.738326
H -1.938534 2.129676 -0.915045
H -3.100749 1.096945 -1.815153
H -1.004430 -0.410307 -2.133603
H 0.556866 1.632825 -0.926018
H 5.077897 0.429699 0.883659
H 2.254438 3.445290 -0.508751
H 4.532273 2.859881 0.398400
H -5.138885 0.432718 -0.636717
H -5.769694 1.515978 0.612199
H -3.017819 -2.922985 0.598493


