%chk=000126845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126845

0 1
 S    1.608400       1.292400      0.1787000    
 O   -1.952100     -0.9908000      -2.154800    
 O    1.281900      -2.374500       1.063500    
 O   -4.895100      0.3189000       2.280000    
 O   -5.979500       1.616900      0.7698000    
 O    2.229300       2.840600      -1.851400    
 O    4.477400     -0.8126000      0.7397000    
 O    2.471500       3.678100       1.622600    
 O    5.771000      -2.580300       1.331200    
 N  -0.6275000      -1.008200     -0.2468000    
 N    2.796200      -2.213100     -0.6868000    
 N   -6.790700     -0.6638000     -0.5486000    
 N    2.538200       3.770700      0.2272000    
 C   0.6496000      -1.116500     -0.9132000    
 C   -4.350500     -0.7710000     -0.7204000    
 C   -3.011100     -0.8323000      1.6899999E-02
 C   -5.551500     -0.7212000      0.2307000    
 C   -1.831800     -0.9541000     -0.9332000    
 C    1.238000      0.2507000      -1.270600    
 C    1.582300      -1.972700     -5.8899999E-02
 C   -5.521300      0.5279000       1.092600    
 C    3.854300      -2.978200     -6.9700003E-02
 C    2.171700       2.761900     -0.6274000    
 C    4.801400      -2.126500      0.7357000    
 C    3.039900       5.057500     -0.2066000    
 H   0.4871000      -1.668400      -1.848500    
 H   -4.440700      -1.646900      -1.376500    
 H   -4.351600      0.1105000      -1.376400    
 H   -2.857000      7.5199999E-02  0.6113000    
 H   -2.995600      -1.693400      0.6954000    
 H   -5.582200      -1.607700      0.8740000    
 H  -0.6348000     -0.9461000      0.7676000    
 H   0.5229000      0.7936000      -1.899600    
 H    2.159500      0.1366000      -1.850100    
 H    2.957600      -1.859900      -1.624800    
 H   -6.852900      -1.483500      -1.151400    
 H   -7.591800     -0.7138000      7.9999998E-02
 H    4.416800      -3.459800     -0.8743000    
 H    3.417400      -3.733600      0.5901000    
 H   -4.866900       1.132900       2.826500    
 H    2.372400       5.839200      0.1671000    
 H    3.091900       5.114500      -1.296700    
 H    4.038800       5.204200      0.2139000    
 H    5.107400     -0.2802000       1.270700    
 H    1.585800       4.046400       1.782100    


%chk=000126845-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000126845

0 1
S 0.643799 1.805978 -0.480404
O -2.107510 -1.230022 -2.116822
O 1.238779 -1.438895 1.420012
O -5.052867 -0.605070 2.378235
O -7.082487 0.393990 1.885337
O 3.301769 1.439826 -1.227186
O 5.261997 -0.888987 -1.351240
O 1.860089 3.878583 0.993889
O 5.831533 0.172381 0.640954
N -0.863821 -1.101111 -0.167083
N 2.794693 -1.408695 -0.309003
N -6.913821 -0.234523 -0.761370
N 2.859313 3.277644 0.126034
C 0.417116 -1.038219 -0.869750
C -4.457414 -0.473094 -0.501475
C -3.306831 -1.353681 0.034766
C -5.865354 -0.795415 0.085377
C -2.059945 -1.221063 -0.842108
C 0.611140 0.303206 -1.627693
C 1.518191 -1.313028 0.185630
C -6.086262 -0.257365 1.499626
C 3.963136 -1.458388 0.580075
C 2.481213 2.139590 -0.568946
C 5.102967 -0.619862 0.012846
C 4.242695 3.546314 0.547380
H 0.437597 -1.831625 -1.647533
H -4.521422 -0.632155 -1.593891
H -4.239057 0.600141 -0.353291
H -3.085966 -1.122159 1.089858
H -3.622770 -2.417315 -0.002706
H -5.921639 -1.911078 0.196395
H -0.796878 -1.139711 0.857813
H -0.242061 0.446290 -2.307987
H 1.554853 0.325121 -2.200342
H 2.985533 -1.218356 -1.295814
H -7.036760 -0.663362 -1.676780
H -7.760462 0.078937 -0.284510
H 4.325656 -2.498313 0.710901
H 3.679918 -1.075786 1.572964
H -5.271225 -0.254027 3.284367
H 4.513792 4.593080 0.329197
H 4.904668 2.864163 -0.007429
H 4.349405 3.351248 1.629017
H 5.937821 -0.276451 -1.746107
H 1.460981 4.620867 0.459400


