%chk=000159129.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159129

0 1
 S    2.668700     -0.1255000       1.779800    
 O    2.572300      -1.278300       2.662900    
 O    3.590500      0.9541000       2.098500    
 O    2.004700       2.154300     -0.8880000    
 O    4.228700       2.342800     -0.3247000    
 O   8.3999997E-03  -1.399600      0.8686000    
 O   -4.177000      -2.567300     -0.5397000    
 O   -5.580800       2.493600      -1.369000    
 N    1.103300      0.5328000       1.552900    
 N   -1.142900      0.6307000      0.9416000    
 N   -3.334900       1.275900      0.4477000    
 N   -2.637400      -1.006600      0.1999000    
 N   -4.895000     -0.3790000     -0.3170000    
 C    3.052700     -0.6832000      0.1652000    
 C    3.303700      0.2145000     -0.8725000    
 C    3.105400      -2.056700     -7.2800003E-02
 C    3.607600     -0.2613000      -2.148100    
 C    3.409300      -2.532400      -1.348300    
 C    3.660300      -1.634800      -2.385800    
 C    3.257700       1.655600     -0.6627000    
 C  -4.2599998E-02 -0.1958000       1.090200    
 C   -2.442200      0.2811000      0.5063000    
 C   -4.543600      0.8707000      2.6300000E-02
 C   -5.603800       1.914500     -6.9899999E-02
 C   -3.891300      -1.264100     -0.2055000    
 C    1.831500       3.564900     -0.7148000    
 C   -3.113300      -3.501000     -0.4208000    
 H    2.912400      -2.781400      0.7124000    
 H    1.013100       1.552500       1.646000    
 H    3.805000      0.4280000      -2.965200    
 H    3.449600      -3.601700      -1.534100    
 H    3.896600      -2.005400      -3.379100    
 H   -1.022500       1.614300       1.167100    
 H   -5.443200       2.707700      0.6667000    
 H   -6.595200       1.484200      0.1034000    
 H   0.7852000       3.806500     -0.9188000    
 H    2.064300       3.849100      0.3157000    
 H    2.464700       4.111600      -1.419700    
 H   -5.512900       1.775400      -2.021400    
 H   -2.767900      -3.575100      0.6160000    
 H   -2.285200      -3.242500      -1.089500    
 H   -3.491800      -4.483100     -0.7195000    


%chk=000159129-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159129

0 1
S 2.519391 0.370201 1.706176
O 2.402129 -0.704026 2.903719
O 3.358576 1.736973 1.928214
O 2.615117 2.210394 -0.763552
O 4.683619 2.076019 -1.838226
O -0.089997 -1.166727 0.956727
O -4.199279 -2.204033 -1.390398
O -7.375252 1.006402 0.029719
N 0.811372 0.969617 1.325149
N -1.481404 0.769196 1.091298
N -3.762195 1.157403 0.899462
N -2.768500 -0.772995 -0.200196
N -5.153452 -0.362302 -0.378830
C 3.080784 -0.584562 0.140503
C 3.636040 0.051728 -0.991953
C 2.997763 -1.976891 0.286360
C 4.164560 -0.792828 -2.004839
C 3.501933 -2.790656 -0.753059
C 4.093683 -2.196299 -1.890528
C 3.738033 1.528721 -1.230134
C -0.240179 0.068260 1.095425
C -2.702207 0.343915 0.574911
C -4.958775 0.752171 0.384556
C -6.203350 1.571187 0.663869
C -4.020698 -1.084950 -0.634756
C 2.703860 3.694513 -0.769529
C -2.992043 -3.027991 -1.670050
H 2.560381 -2.402633 1.194128
H 0.803166 1.946770 1.015657
H 4.628739 -0.318785 -2.875444
H 3.440979 -3.879526 -0.662588
H 4.502522 -2.825298 -2.687678
H -1.545962 1.646541 1.616350
H -6.034359 2.605734 0.302067
H -6.348247 1.626565 1.762360
H 1.668700 4.055309 -0.858857
H 3.157272 4.006616 0.185857
H 3.317964 4.036082 -1.617419
H -7.070452 0.172560 -0.435006
H -2.477503 -3.286044 -0.730894
H -2.299016 -2.469887 -2.320501
H -3.391515 -3.916444 -2.177772


