%chk=000000990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000990

0 1
 S   -5.285700      0.1873000     -0.7336000    
 P   -1.760100       2.439000     -9.3500003E-02
 P   -3.923500      -1.546600      0.8900000    
 O   0.7938000      -1.747500      3.8600001E-02
 O   -1.587300      0.8807000     -0.5018000    
 O   0.9403000       1.641700       1.134500    
 O   -2.839500      -1.813300     -0.2811000    
 O   -2.452500       2.378100       1.366700    
 O   -2.962100       2.935200      -1.054800    
 O  -0.5047000       3.257400     -0.1747000    
 O   -5.294400      -1.222900      8.9199997E-02
 O   -4.210200      -3.029200       1.475300    
 O   -3.529300     -0.5408000       1.933000    
 O   -6.696500      0.1309000      -1.549000    
 O   -4.216000      0.1531000      -1.712800    
 O   -5.379600       1.275800      0.2210000    
 N    2.856200     -0.6131000     -0.1988000    
 N    4.380700     -0.9501000      -1.791700    
 N    4.266200      0.3525000       1.527800    
 N    6.587100      0.5142000      0.7906000    
 N    7.300100     -0.2085000      -1.376600    
 C  -0.6864000      8.2599998E-02  0.2419000    
 C   0.7202000      0.6348000      0.1624000    
 C  -0.5087000      -1.296900     -0.3708000    
 C    1.555400     -0.6022000      0.4673000    
 C   -1.556800      -2.297300      8.2300000E-02
 C    4.044600     -0.1750000      0.3144000    
 C    3.110600      -1.069800      -1.465600    
 C    4.976100     -0.3922000     -0.6883000    
 C    6.290200     -2.5400000E-02 -0.4162000    
 C    5.571700      0.6673000       1.674600    
 H   -1.019000      3.0200001E-02   1.284800    
 H   0.9321000       1.051400     -0.8300000    
 H  -0.5243000      -1.227700      -1.466400    
 H    1.745100     -0.7179000       1.541200    
 H   -1.487100      -2.473200       1.162300    
 H   -1.396200      -3.265100     -0.4042000    
 H    1.877200       1.896500       1.084400    
 H    2.338200      -1.471500      -2.107300    
 H   -2.594000       3.214000       1.859900    
 H   -3.201200       3.886400      -1.063100    
 H    5.845400       1.102300       2.629900    
 H    8.247500      6.6200003E-02  -1.155100    
 H    7.081100     -0.6107000      -2.278000    
 H   -3.568300      -3.425000       2.102600    
 H   -7.482600     -0.1303000      -1.014200    


%chk=000000990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000990

0 1
S -5.404766 1.126516 -1.285050
P -1.906890 2.464571 0.376286
P -4.115834 -1.294151 0.719291
O 0.759462 -1.992442 -0.049047
O -1.460865 0.886542 -0.369197
O 1.307616 1.435752 1.185474
O -2.972212 -2.051364 -0.291471
O -0.918506 2.516470 1.752082
O -3.443727 2.133594 1.009746
O -1.874160 3.638133 -0.675997
O -5.246698 -0.648307 -0.378004
O -4.971507 -2.666408 1.286642
O -3.558318 -0.349469 1.879320
O -6.426086 0.205814 -2.464722
O -4.050868 1.599506 -1.975838
O -6.335259 2.058660 -0.395284
N 2.963074 -1.040608 -0.045659
N 4.868566 -1.882835 -1.007000
N 3.790862 1.243349 0.529671
N 6.118400 1.580340 -0.132379
N 7.402083 -0.085500 -1.200104
C -0.566068 0.004178 0.364866
C 0.924201 0.394264 0.256151
C -0.594917 -1.385453 -0.313732
C 1.615249 -0.960175 0.549159
C -1.617105 -2.390974 0.231495
C 3.915851 -0.022180 0.015778
C 3.593130 -2.139181 -0.662854
C 5.083998 -0.558854 -0.581424
C 6.219394 0.303348 -0.647491
C 4.941507 1.979191 0.415112
H -0.849888 -0.060984 1.435375
H 1.133049 0.694525 -0.792465
H -0.728083 -1.262035 -1.403649
H 1.692813 -1.125137 1.642939
H -1.607550 -2.415706 1.336701
H -1.409799 -3.396934 -0.165507
H 2.350571 1.594214 1.037463
H 3.060091 -3.068238 -0.843159
H 0.079297 2.238464 1.608369
H -3.488870 1.291397 1.583186
H 4.906987 2.999261 0.806037
H 8.178682 0.573522 -1.222592
H 7.499139 -1.021229 -1.590717
H -5.680559 -2.473133 1.953839
H -6.381686 -0.744913 -2.134540


