%chk=000129903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129903

0 1
 S    3.931200       1.526100     -0.1912000    
 O   0.4301000     -0.7073000       1.055100    
 O   0.5608000      -3.716400      0.5796000    
 O   -1.480700      -2.925400      -1.030300    
 O    2.936500      0.4004000      0.4603000    
 O    5.129300      0.8606000     -0.6692000    
 O    3.137000       2.332600      -1.100200    
 N   -1.684400     -1.2400000E-02  0.2330000    
 N   -3.017000     -0.1061000      0.3547000    
 N   -2.377200       1.989400     -0.3029000    
 N    4.365800       2.517500       1.138600    
 N   -5.884300       1.836600     -1.0300000E-02
 C   0.8315000      -2.624000     -0.2986000    
 C  -0.4743000      -1.982100     -0.7242000    
 C    1.498800      -1.506800      0.4974000    
 C  -0.8229000      -1.160200      0.5074000    
 C    2.373500     -0.6058000     -0.3631000    
 C   -1.312000       1.235700     -0.1584000    
 C   -3.389200       1.131000      1.9300001E-02
 C   -4.752400       1.516600      3.0000000E-03
 H    1.421400      -3.006000      -1.136700    
 H  -0.3169000      -1.340700      -1.599000    
 H    2.079100      -1.888700       1.345000    
 H   -1.331000      -1.755500       1.276400    
 H    1.783100     -0.1191000      -1.146800    
 H    3.177100      -1.185600     -0.8293000    
 H    1.417200      -4.074300      0.8694000    
 H   -1.572800      -3.524500     -0.2700000    
 H  -0.2868000       1.536600     -0.3229000    
 H    3.618200       3.092800       1.547300    
 H    4.967000       2.089700       1.854500    


%chk=000129903-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129903

0 1
S 3.125797 1.629359 -0.222219
O 0.940489 -0.533212 0.842279
O 0.373545 -3.684710 0.791257
O -1.441346 -2.740252 -0.922427
O 3.770803 -0.130211 0.180839
O 4.413094 2.583164 -0.229891
O 2.158009 1.454845 -1.506698
N -1.186158 0.303082 0.136067
N -2.379073 0.565231 0.815215
N -1.932973 2.200402 -0.791722
N 2.149601 2.035312 1.182149
N -5.020953 2.928509 0.883978
C 0.949812 -2.741843 -0.179512
C -0.278276 -1.932383 -0.677928
C 1.852608 -1.678555 0.488553
C -0.449429 -0.900716 0.476370
C 2.968873 -1.184099 -0.446885
C -0.939160 1.289895 -0.811353
C -2.793005 1.720355 0.206083
C -4.008450 2.374569 0.578016
H 1.457707 -3.278436 -1.003019
H -0.049530 -1.409715 -1.621982
H 2.284006 -2.048128 1.436262
H -0.972254 -1.358831 1.334112
H 2.560939 -0.827663 -1.414290
H 3.690894 -2.001016 -0.640896
H 0.999186 -4.421532 0.992795
H -1.466832 -3.441110 -0.214566
H -0.035279 1.344361 -1.415808
H 1.505036 1.253884 1.406605
H 2.708017 2.454143 1.936517


