%chk=000014838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014838

0 1
 S    8.070200       1.207200     -0.5680000    
 O    8.871100       1.144000      0.8559000    
 O  -0.5641000      0.8681000       1.593200    
 O    8.781600      0.3379000      -1.494000    
 O    7.837700       2.605800     -0.8936000    
 O   -3.208900      -2.313000     -0.6444000    
 N   -4.199200     -0.5521000      0.4082000    
 N    2.752800      -1.224300      0.5141000    
 N   -3.055900      5.2999998E-03  0.8510000    
 N    1.716800     -0.4643000      0.9189000    
 C   -6.509800     -0.3296000     -0.3449000    
 C   -5.318300      0.2425000      0.1139000    
 C   -7.528900       1.857700     -0.4643000    
 C   -7.611800      0.4756000     -0.6331000    
 C   -5.242200       1.629400      0.2810000    
 C   -6.344100       2.434700     -7.3000002E-03
 C   -6.626100      -1.807000     -0.5355000    
 C    6.509400      0.4927000     -0.2484000    
 C    4.009000     -0.6511000      0.2613000    
 C   -8.707200       2.718800     -0.7718000    
 C   -2.000000     -0.6532000      0.5103000    
 C    6.323300     -0.8796000     -0.4149000    
 C    5.448400       1.294500      0.1722000    
 C    5.076000      -1.450100     -0.1607000    
 C    4.201200      0.7240000      0.4264000    
 C   0.5706000     -0.9173000      0.5400000    
 C  -0.6576000     -0.1511000      0.9345000    
 C   -2.111900      -1.907300     -0.2994000    
 C   0.3619000      -2.147100     -0.2621000    
 C  -0.8440000      -2.591100     -0.6387000    
 H   -8.538600      3.0900000E-02 -0.9881000    
 H   -4.337200       2.116300      0.6350000    
 H   -6.267800       3.510100      0.1301000    
 H   -6.449500      -2.334300      0.4077000    
 H   -7.625700      -2.094000     -0.8802000    
 H   -5.913700      -2.154300      -1.290500    
 H   -4.332800      -1.554100      0.4587000    
 H   -8.396200       3.726800      -1.066700    
 H   -9.288900       2.307300      -1.603700    
 H   -9.355300       2.796100      0.1067000    
 H    7.136900      -1.524300     -0.7351000    
 H    5.571700       2.364200      0.3159000    
 H    4.944900      -2.521200     -0.2940000    
 H    3.397900       1.378800      0.7537000    
 H    2.707400      -2.235900      0.5451000    
 H    1.211300      -2.730200     -0.5984000    
 H  -0.9291000      -3.494800      -1.233900    
 H    9.029100      0.2381000       1.212200    


%chk=000014838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014838

0 1
S 8.277260 1.353635 0.031862
O 8.428599 1.393501 1.886501
O -0.441193 0.962762 -0.053494
O 9.409423 0.356141 -0.553724
O 8.164888 2.878113 -0.499209
O -3.341488 -2.915040 -0.304244
N -4.259479 -0.512614 -0.201147
N 2.892540 -1.382742 -0.157771
N -3.016564 -0.029131 -0.158173
N 1.750795 -0.663033 -0.126874
C -6.678561 -0.223317 -0.227267
C -5.376070 0.358372 -0.182045
C -7.641579 2.064202 -0.147925
C -7.786845 0.655856 -0.209275
C -5.199861 1.764807 -0.120084
C -6.325132 2.602778 -0.103393
C -6.873878 -1.728253 -0.291784
C 6.613391 0.521714 -0.012119
C 4.139995 -0.721743 -0.107552
C -8.851532 2.979521 -0.129015
C -1.977288 -0.914042 -0.184304
C 6.581817 -0.880143 -0.099328
C 5.459495 1.325768 0.030121
C 5.323490 -1.506671 -0.151302
C 4.204066 0.695888 -0.022081
C 0.549443 -1.257117 -0.169424
C -0.620097 -0.287627 -0.129011
C -2.156293 -2.368371 -0.261227
C 0.307718 -2.691107 -0.247024
C -0.961540 -3.217416 -0.289943
H -8.795327 0.225831 -0.244071
H -4.183027 2.165462 -0.086990
H -6.187289 3.689410 -0.055910
H -6.433836 -2.242690 0.584431
H -7.946356 -1.980964 -0.318600
H -6.406167 -2.170932 -1.192518
H -4.356493 -1.563905 -0.251441
H -8.832319 3.686040 -0.980130
H -9.794876 2.410321 -0.184060
H -8.877917 3.588817 0.794220
H 7.510446 -1.457123 -0.141063
H 5.542400 2.415443 0.086282
H 5.264383 -2.599205 -0.222257
H 3.273936 1.268076 0.004706
H 2.902968 -2.411706 -0.217277
H 1.151184 -3.395166 -0.271645
H -1.138864 -4.296376 -0.347003
H 9.276035 1.879474 2.107880


