%chk=000017531.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017531

0 1
 S   -1.484700      0.1700000      -1.086300    
 S   -4.799800     -0.3610000      -2.137000    
 P   -3.547600     -0.1095000     -0.6475000    
 O   -3.993400       1.118700      0.3359000    
 O   -3.643100      -1.320800      0.4471000    
 O    1.292000      -1.954500      0.1064000    
 N   0.7848000      0.3016000      0.3440000    
 N    1.204100       1.602700      0.3879000    
 N    2.406800       1.917200      0.2604000    
 C  -0.6474000      0.1203000      0.5095000    
 C    3.046900     -0.4281000      2.7999999E-03
 C    1.634400     -0.7769000      0.1540000    
 C    3.368800      0.9210000      6.4599998E-02
 C    4.027800      -1.404900     -0.1950000    
 C    4.710900       1.293700     -7.6099999E-02
 C   -4.070200       2.444200     -0.1620000    
 C   -3.338400      -2.653400      7.0000000E-02
 C    5.359500      -1.019600     -0.3336000    
 C    5.701800      0.3296000     -0.2744000    
 C   -4.503700       3.366900      0.9572000    
 C   -3.509500      -3.557300       1.272200    
 H  -0.8371000     -0.8496000      0.9787000    
 H   -1.042100      0.9030000       1.165500    
 H    3.774000      -2.459900     -0.2432000    
 H    4.994400       2.342800     -3.2400001E-02
 H   -3.090900       2.750600     -0.5407000    
 H   -4.795500       2.493700     -0.9788000    
 H   -4.011000      -2.977100     -0.7289000    
 H   -2.308300      -2.706100     -0.2942000    
 H    6.129600      -1.769700     -0.4877000    
 H    6.739200      0.6323000     -0.3823000    
 H   -4.572600       4.400600      0.6072000    
 H   -5.478000       3.061900       1.352900    
 H   -3.793800       3.322200       1.789800    
 H   -3.282000      -4.595800       1.016100    
 H   -2.850100      -3.241900       2.087700    
 H   -4.534800      -3.503200       1.652700    


%chk=000017531-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017531

0 1
S -1.405557 1.173935 -1.271985
S -4.463300 -0.472866 -2.407243
P -3.382165 0.090764 -0.743971
O -4.115637 1.153760 0.415630
O -2.936947 -1.077837 0.446891
O 0.520830 -1.484204 0.306074
N 0.831357 0.842451 0.350342
N 1.634420 2.038763 0.301570
N 2.923352 1.922106 0.147838
C -0.592203 1.120894 0.471911
C 2.769533 -0.569772 0.067965
C 1.308507 -0.497215 0.243413
C 3.526931 0.641107 0.021781
C 3.428569 -1.817309 -0.060369
C 4.935507 0.598027 -0.152922
C -4.807775 2.366507 -0.111510
C -2.523826 -2.442906 -0.025404
C 4.823980 -1.853098 -0.233544
C 5.576900 -0.645298 -0.280043
C -5.430293 3.049484 1.102393
C -2.235275 -3.242439 1.238938
H -1.095207 0.314476 1.026779
H -0.717091 2.105684 0.937137
H 2.829118 -2.732150 -0.023436
H 5.484845 1.543522 -0.184336
H -4.062761 3.014233 -0.613854
H -5.571458 2.051337 -0.847867
H -3.353957 -2.869903 -0.618322
H -1.618458 -2.341441 -0.648933
H 5.336542 -2.815366 -0.334460
H 6.662452 -0.687283 -0.416123
H -5.964452 3.963093 0.782209
H -6.149811 2.377910 1.599837
H -4.654745 3.335694 1.832789
H -1.958630 -4.276656 0.961190
H -1.390928 -2.794605 1.787083
H -3.121369 -3.279698 1.895054


