%chk=000159480.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159480

0 1
 S   -2.643000      -2.898300     -0.8740000    
 P   -3.594500      -1.477800      4.5899998E-02
 O  -0.3321000       1.189200      0.9864000    
 O  -0.6208000       4.050800     -6.2700003E-02
 O   -2.724700     -0.1931000      0.5194000    
 O    3.718700       1.379200      0.4309000    
 O   -4.823800     -0.8058000     -0.7718000    
 O   -4.327300      -1.933500       1.419400    
 N    1.685000      0.3177000      0.1821000    
 N    3.785000     -0.8617000      7.6099999E-02
 N    3.845900      -3.157500     -0.2895000    
 C  -0.7831000       2.788100     -0.7051000    
 C   -1.417700       1.794600      0.2581000    
 C   0.5722000       2.179200     -0.9810000    
 C   0.9087000       1.512300      0.3428000    
 C   -2.181000      0.6847000     -0.4530000    
 C    1.022800     -0.8791000     -3.6600001E-02
 C    3.100300      0.3305000      0.2397000    
 C    1.662800      -2.035700     -0.1975000    
 C    3.146500      -1.983800     -0.1294000    
 H   -1.377300       2.952200      -1.609000    
 H   -2.063600       2.284000      0.9955000    
 H   0.4873000       1.438900      -1.785700    
 H    1.338800       2.904700      -1.271200    
 H    1.439300       2.215600      0.9953000    
 H   -1.552400      0.1234000      -1.147600    
 H   -3.005500       1.120100      -1.027600    
 H  -0.1610000       4.637600     -0.6871000    
 H  -5.3199999E-02 -0.8799000     -6.7400001E-02
 H    1.154400      -2.975900     -0.3638000    
 H    3.379300      -4.044000     -0.4507000    
 H    4.859400      -3.168900     -0.2508000    
 H   -5.351200     -0.1023000     -0.3368000    
 H   -4.820000      -2.781500       1.432600    


%chk=000159480-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159480

0 1
S -2.485977 -2.070230 -1.897190
P -3.259806 -1.229952 -0.180142
O -0.901510 0.781497 0.419329
O -0.567720 3.992175 0.172925
O -3.731881 0.455333 -0.335263
O 2.973333 1.016428 1.503698
O -4.714515 -1.915557 0.375388
O -2.371591 -1.242001 1.285557
N 1.345008 -0.061177 0.189811
N 3.377776 -1.212374 0.868860
N 3.767843 -3.390540 0.177945
C -0.750074 2.891970 -0.783828
C -1.738681 1.914193 -0.096600
C 0.535033 2.058278 -0.974793
C 0.540503 1.155283 0.272635
C -2.812091 1.365934 -1.043050
C 0.948726 -1.154380 -0.557631
C 2.636113 -0.049037 0.913052
C 1.728713 -2.289855 -0.612299
C 2.959398 -2.279652 0.152081
H -1.144392 3.273893 -1.747296
H -2.199876 2.418488 0.770174
H 0.466041 1.441360 -1.889986
H 1.445280 2.677683 -1.031232
H 0.883963 1.705979 1.164778
H -2.364225 0.845534 -1.914237
H -3.453668 2.192923 -1.391293
H 0.124463 4.616646 -0.162133
H -0.019040 -1.096899 -1.067600
H 1.396204 -3.158920 -1.182406
H 3.524908 -4.244281 -0.317037
H 4.619224 -3.346091 0.736381
H -4.844872 -1.802451 1.354470
H -1.638410 -0.536199 1.252831


