%chk=000060895.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060895

0 1
 S    1.410200      -2.259000      2.3800001E-02
 O   7.8500003E-02   1.818500      -1.774600    
 O    5.779000     -0.6233000      0.6138000    
 O   -2.720900      0.2830000      -1.865900    
 O    3.740200       2.410700      -1.145100    
 O    2.356300       2.738100      0.6460000    
 O   -6.445200       1.172100       2.481400    
 O   -7.517900       1.701200      0.5555000    
 O    7.176600      0.3362000       2.187200    
 N    1.593000      0.1675000      -1.038500    
 N   -1.115500      -1.160700      -1.018500    
 N   -7.831700     -0.8988000     -0.1570000    
 C    1.372200      -1.208200      -1.446000    
 C  -1.9400001E-02 -0.7404000      -1.908800    
 C   0.4959000      0.6940000      -1.624600    
 C    2.651100      0.5732000     -0.2904000    
 C    3.426500     -0.3139000      0.3774000    
 C    3.131200      -1.811100      0.4348000    
 C   -2.385200     -0.6003000      -1.081300    
 C    4.664800      4.9300000E-02   1.161300    
 C   -3.316500      -1.192400     -3.6699999E-02
 C    2.877600       2.022300     -0.1854000    
 C   -4.727700     -0.6039000     -6.9100000E-02
 C   -5.641300      -1.233000      0.9946000    
 C   -7.059100     -0.6437000       1.058300    
 C   -7.047400      0.8548000       1.304600    
 C    6.982900     -0.3914000       1.223800    
 C    8.091700      -1.140700      0.5796000    
 H    2.032200      -1.523200      -2.262800    
 H  -0.2371000     -0.9365000      -2.963300    
 H  -0.9520000      -1.891100     -0.3296000    
 H    3.309900      -2.187000       1.447800    
 H    3.804700      -2.344900     -0.2444000    
 H    4.527800     -0.2487000       2.208400    
 H    4.856600       1.127500       1.147100    
 H   -3.364800      -2.275700     -0.2015000    
 H   -2.868400      -1.024300      0.9501000    
 H   -5.160400     -0.7543000      -1.065600    
 H   -4.662200      0.4799000      8.3999999E-02
 H   -5.707900      -2.314200      0.8167000    
 H   -5.164600      -1.114100       1.976300    
 H   -7.599000      -1.105000       1.894200    
 H    3.921000       3.374300      -1.111000    
 H   -7.865100      -1.901700     -0.3356000    
 H   -8.797100     -0.6021000     -1.8500000E-02
 H    8.191900     -0.8289000     -0.4630000    
 H    7.896500      -2.214300      0.6399000    
 H    9.032100     -0.9294000       1.097000    
 H   -6.438700       2.140200       2.638900    


%chk=000060895-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060895

0 1
S 1.111802 -1.075751 0.391691
O 0.921807 3.373321 1.003630
O 5.849521 -1.226124 -0.276210
O -2.808514 1.355593 -1.303572
O 3.636864 3.595807 -0.349660
O 5.158487 2.639811 1.122407
O -7.911994 -0.368903 -0.861986
O -7.147606 -2.362825 -1.770454
O 5.763032 -2.940932 1.311671
N 1.971554 1.498641 -0.174796
N -1.262018 1.011212 0.396897
N -6.036019 -3.163572 0.621975
C 1.049313 0.470377 -0.700192
C -0.148724 1.452015 -0.404437
C 0.925034 2.363566 0.287097
C 3.316756 1.299306 0.200236
C 3.821470 0.023330 0.358786
C 2.992039 -1.237300 0.163282
C -2.565061 1.008491 -0.110486
C 5.264237 -0.255844 0.713878
C -3.653495 0.578895 0.870909
C 4.135797 2.534095 0.401817
C -4.625497 -0.447808 0.242338
C -5.851801 -0.702865 1.138509
C -6.743328 -1.881528 0.628390
C -7.262371 -1.602916 -0.782955
C 6.100138 -2.532029 0.177413
C 6.830207 -3.322789 -0.883626
H 1.231033 0.184597 -1.746618
H -0.566667 1.884353 -1.331410
H -1.095455 0.715929 1.360647
H 3.307482 -2.002684 0.893848
H 3.161512 -1.654038 -0.845713
H 5.333459 -0.715649 1.718600
H 5.901092 0.635716 0.667728
H -3.214168 0.174041 1.803482
H -4.219434 1.491278 1.148740
H -4.105744 -1.409089 0.070875
H -4.941668 -0.060719 -0.744607
H -5.524206 -0.971263 2.162583
H -6.473833 0.209822 1.213218
H -7.649967 -1.898358 1.277404
H 4.147996 4.421718 -0.134123
H -6.117882 -3.725143 1.468246
H -6.099236 -3.685222 -0.255763
H 7.889030 -3.007850 -0.912955
H 6.401367 -3.128358 -1.880016
H 6.784608 -4.395533 -0.646603
H -8.225647 -0.220222 -1.794817


