%chk=000153233.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153233

0 1
 S   -3.679100       2.131100     -7.2700001E-02
 O   0.3206000      -2.429500      3.4000000E-03
 O   -1.846600      -2.778700     -4.0000002E-03
 N   -2.313600     -4.0800001E-02 -3.9700001E-02
 N  -0.9229000       1.687100     -4.7899999E-02
 N  -0.8631000      -1.983300     -5.7999999E-03
 C   -3.652200     -0.5818000     -9.0300001E-02
 C   -2.171900       1.306900     -5.5599999E-02
 C   -4.600100      0.5700000      0.2667000    
 C   -1.085600     -0.6020000     -1.7500000E-02
 C  -0.2313000      0.4884000     -2.1700000E-02
 C    1.199200      0.4135000     -6.8999999E-03
 C    1.910800      0.3629000      -1.207400    
 C    1.886800      0.3908000       1.208400    
 C    3.988200      0.2674000      2.2500001E-02
 C    3.303700      0.2899000      -1.192600    
 C    3.279800      0.3179000       1.223000    
 C    5.477200      0.1901000      3.8300000E-02
 H   -3.760800      -1.395800      0.6304000    
 H   -3.825600     -0.9464000      -1.108200    
 H   -5.530800      0.5274000     -0.3056000    
 H   -4.843500      0.5491000       1.334300    
 H    1.392600      0.3801000      -2.163400    
 H    1.349800      0.4300000       2.153300    
 H    3.844500      0.2529000      -2.134600    
 H    3.801800      0.3030000       2.176000    
 H    5.853900     -0.3569000     -0.8328000    
 H    5.905800       1.197200      3.2099999E-02
 H    5.836100     -0.3388000      0.9278000    


%chk=000153233-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153233

0 1
S -3.741611 2.233942 -0.118182
O 0.246284 -2.555095 0.040668
O -2.031055 -2.851578 0.039347
N -2.437430 -0.099920 -0.001608
N -0.921926 1.608152 -0.046633
N -0.961915 -2.095644 0.027646
C -3.830536 -0.575995 -0.139812
C -2.228374 1.265713 -0.038870
C -4.708624 0.622586 0.302835
C -1.157531 -0.682582 -0.007198
C -0.225902 0.390211 -0.024289
C 1.257548 0.341165 -0.008344
C 1.989749 0.314201 -1.220240
C 1.965098 0.347238 1.218540
C 4.118175 0.294316 0.021268
C 3.400055 0.289020 -1.201791
C 3.375387 0.321913 1.229285
C 5.636779 0.296477 0.036915
H -4.000198 -1.460773 0.489789
H -4.018201 -0.856858 -1.192122
H -5.665340 0.654867 -0.236714
H -4.877728 0.629108 1.389951
H 1.455249 0.308009 -2.176526
H 1.411426 0.367278 2.163676
H 3.950757 0.262271 -2.149803
H 3.906966 0.321168 2.188553
H 6.052003 -0.219560 -0.846529
H 6.031352 1.331290 0.029278
H 6.033243 -0.199222 0.940409


