%chk=000084219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084219

0 1
 S    2.504300     -0.6825000      0.9415000    
 O    3.135800      4.6700001E-02 -0.3793000    
 O   -1.851000       2.482100      0.4415000    
 O   -3.862300      -2.378200     -0.4949000    
 O    2.614300      0.2183000       2.077700    
 O    3.033700      -2.036600      0.9988000    
 N   0.5443000       1.572800      0.8060000    
 N   -1.552100      -3.548300     -0.1735000    
 C   -1.401300      0.1593000      0.2692000    
 C   -1.928000      -1.110700      2.4599999E-02
 C  -3.8300000E-02  0.3073000      0.5524000    
 C   0.7917000     -0.8135000      0.5900000    
 C   -3.709000       1.181100     -6.7400001E-02
 C   -1.091400      -2.232700      6.2799998E-02
 C   -4.235700     -8.8900000E-02 -0.3116000    
 C   -2.272500       1.351600      0.2319000    
 C   -3.364600      -1.281300     -0.2743000    
 C   0.2663000      -2.080700      0.3454000    
 C   -4.545500       2.303100     -0.1057000    
 C   -5.599000     -0.2371000     -0.5938000    
 C   -5.903400       2.151000     -0.3873000    
 C   -6.429200      0.8836000     -0.6306000    
 C    4.470500      0.3417000     -0.5160000    
 C    5.082300       1.187300      0.3998000    
 C    5.189300     -0.2098000      -1.568400    
 C    6.437500       1.486700      0.2609000    
 C    6.544600      8.9800000E-02  -1.707200    
 C    7.168800      0.9379000     -0.7926000    
 H   0.8984000      -2.964700      0.3676000    
 H   -4.162900       3.303100      8.0100000E-02
 H   -6.035600      -1.213200     -0.7876000    
 H    1.534700       1.670400      0.9771000    
 H  -2.2200000E-02   2.408900      0.7890000    
 H  -0.9044000      -4.324400     -0.1349000    
 H   -2.523500      -3.726300     -0.3852000    
 H   -6.551900       3.021900     -0.4167000    
 H   -7.486700      0.7681000     -0.8495000    
 H    4.526900       1.643500       1.212400    
 H    4.706400     -0.8710000      -2.282000    
 H    6.922400       2.151700      0.9698000    
 H    7.113800     -0.3373000      -2.527700    
 H    8.223600       1.172200     -0.9015000    


%chk=000084219-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084219

0 1
S 2.551276 -0.801300 1.242166
O 3.183343 -0.138261 -0.597696
O -1.976956 2.481450 1.067812
O -3.788514 -2.318228 -1.004749
O 2.837210 0.369886 2.353675
O 3.082917 -2.313527 1.514986
N 0.365910 1.478249 1.497975
N -1.484699 -3.420048 -0.634095
C -1.467320 0.180163 0.488207
C -1.941610 -1.067619 -0.059383
C -0.101489 0.318941 0.949898
C 0.727185 -0.853612 0.813346
C -3.762570 1.204459 0.099803
C -1.064052 -2.207608 -0.143350
C -4.231681 -0.027721 -0.436978
C -2.364941 1.345481 0.581422
C -3.334220 -1.203659 -0.525696
C 0.291982 -2.059186 0.292056
C -4.639678 2.316833 0.175820
C -5.571623 -0.134328 -0.891066
C -5.967190 2.203490 -0.277179
C -6.435087 0.973750 -0.812415
C 4.516581 0.210762 -0.684220
C 4.915773 1.555601 -0.425313
C 5.479952 -0.764156 -1.080544
C 6.263153 1.924884 -0.601913
C 6.823645 -0.381153 -1.251681
C 7.217879 0.960663 -1.013448
H 0.988481 -2.903607 0.231669
H -4.251881 3.250961 0.592729
H -5.903467 -1.094224 -1.297856
H 1.309956 1.508757 1.903175
H -0.318559 2.255868 1.541792
H -0.843073 -4.208113 -0.691764
H -2.472244 -3.468874 -0.943063
H -6.641459 3.064491 -0.216754
H -7.468961 0.889097 -1.163790
H 4.158857 2.278725 -0.105235
H 5.147966 -1.792983 -1.252932
H 6.575367 2.957987 -0.415621
H 7.567046 -1.121653 -1.565570
H 8.265894 1.252263 -1.143420


