%chk=000037258.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037258

0 1
 S  -0.1039000     -0.6946000      0.4569000    
 P   -5.462000      0.9354000      0.6095000    
 P   -5.331800      -1.889800     -0.1999000    
 O   -4.078800       1.213600     -0.1793000    
 O   -5.484300     -0.6643000      0.8424000    
 O   -6.615300       1.164300     -0.5018000    
 O   -5.641200       1.742100       1.862800    
 O   -5.625400      -3.192700      0.7105000    
 O   -6.658200      -1.760700      -1.114300    
 O   -4.034900      -1.913000     -0.9535000    
 N    2.009100      0.7314000     -0.2745000    
 N    6.320900      1.7100001E-02  0.8328000    
 N    5.605500      -1.941800     -0.3748000    
 N    5.091800       2.038500      0.6664000    
 C   0.8324000       1.454000     -0.8030000    
 C  -0.3439000       1.075700      0.1236000    
 C    1.613300     -0.6707000     -0.1138000    
 C   -1.712000       1.319800     -0.4971000    
 C    1.044400       2.970900     -0.8102000    
 C    3.192700      0.8382000      -1.122600    
 C   -2.835600      0.9779000      0.4671000    
 C    4.367300      9.6400000E-02 -0.5422000    
 C    5.267200      0.6784000      0.3104000    
 C    4.574000      -1.220300     -0.8602000    
 C    6.428100      -1.270700      0.4538000    
 C    7.580800      -2.035000       1.011000    
 H   0.6178000       1.127700      -1.831300    
 H  -0.2607000       1.606000       1.080600    
 H    1.635800      -1.227200      -1.057200    
 H    2.221400      -1.186400      0.6346000    
 H   -1.836300      0.7519000      -1.428800    
 H   -1.817900       2.371900     -0.7875000    
 H    1.345300       3.336600      0.1780000    
 H    1.813000       3.268200      -1.530100    
 H   0.1283000       3.497300      -1.095100    
 H    2.985900      0.4498000      -2.130500    
 H    3.478300       1.882800      -1.285400    
 H   -2.813300     -6.7100003E-02  0.7842000    
 H   -2.781200       1.610500       1.359700    
 H    3.925800      -1.763900      -1.539000    
 H    4.147600       2.394400      0.7527000    
 H    5.789800       2.430500       1.287500    
 H    8.436800      -1.375400       1.184000    
 H    7.294100      -2.494500       1.961500    
 H    7.895100      -2.824000      0.3207000    
 H   -6.896000       2.080300     -0.7122000    
 H   -5.514400      -4.083400      0.3147000    
 H   -6.759200      -2.351500      -1.890700    


%chk=000037258-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037258

0 1
S 0.061828 0.281255 1.760985
P -5.302028 0.523764 1.030119
P -4.588923 -1.544798 -1.258069
O -4.184870 1.713577 0.529848
O -4.774270 -0.989510 0.423837
O -6.512202 0.812797 -0.195880
O -5.779663 0.504043 2.531665
O -4.615253 -3.224269 -1.054593
O -6.133123 -1.197909 -1.885454
O -3.286085 -1.020209 -1.969155
N 1.847940 0.573852 -0.218133
N 6.058222 -0.008817 0.920443
N 6.034485 -1.956245 -0.540670
N 4.245841 1.492253 0.991963
C 0.615383 1.169835 -0.826225
C -0.342255 1.521486 0.349227
C 1.425318 -0.497732 0.710913
C -1.820486 1.442723 -0.075672
C 0.922996 2.412408 -1.683007
C 2.859745 0.093430 -1.213761
C -2.778977 1.737058 1.079100
C 4.147924 -0.385713 -0.572380
C 4.824758 0.369452 0.451774
C 4.808423 -1.546176 -1.004202
C 6.615365 -1.144050 0.399815
C 7.980210 -1.532103 0.913548
H 0.100120 0.405600 -1.460736
H -0.093274 2.522610 0.746773
H 1.007906 -1.382926 0.185770
H 2.253858 -0.799696 1.368670
H -2.038036 0.444966 -0.497646
H -2.005403 2.184377 -0.878866
H 1.539984 3.131427 -1.114296
H 1.453716 2.154255 -2.615837
H -0.016378 2.913133 -1.977058
H 2.442350 -0.718814 -1.856596
H 3.087659 0.951692 -1.874322
H -2.674316 0.996982 1.895027
H -2.656350 2.753922 1.488922
H 4.351051 -2.188456 -1.768497
H 3.246422 1.650685 0.785921
H 4.744463 1.977415 1.736265
H 8.705723 -0.720100 0.726591
H 7.950522 -1.690174 2.006577
H 8.319519 -2.452923 0.416836
H -7.013536 1.662028 -0.139164
H -5.469768 -3.604815 -0.724689
H -6.530335 -0.356991 -1.475282


