%chk=000132685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132685

0 1
 S    3.238000      -1.962300     -0.3595000    
 S   -1.436800      3.7300002E-02  0.4468000    
 P   -4.313100       1.621000     -0.1220000    
 O   -3.970900      6.9799997E-02 -0.4514000    
 O    5.730300      0.8666000      0.4579000    
 O   -3.931000      -2.770600     -0.4075000    
 O   -5.154100       1.574100       1.261300    
 O   -5.435000       2.018000      -1.219100    
 O   -3.125300       2.539700     -0.1000000    
 N    3.424600      0.4935000      0.3934000    
 N   -1.622400      -2.420400     -0.3016000    
 N    1.209200     -0.3641000      0.2194000    
 N   0.5933000      -1.561300     -0.1271000    
 C    4.915600      -1.279800     -0.2563000    
 C    4.761200      0.1442000      0.2388000    
 C    3.052000       1.829900      0.8372000    
 C    2.489600     -0.4750000      0.1314000    
 C    5.776100      -2.103000      0.6864000    
 C   -3.101700     -0.6597000      0.3868000    
 C    2.824500       2.716400     -0.3539000    
 C   -2.957200      -2.069700     -0.1463000    
 C  -0.6875000      -1.450600     -3.9099999E-02
 C   -1.232000      -3.758300     -0.7242000    
 C    1.420000       2.809400     -0.8791000    
 C    3.825100       3.422300     -0.9032000    
 C   -6.292500      0.7327000       1.330900    
 H    5.349800      -1.252600      -1.260700    
 H    3.851200       2.234300       1.470000    
 H    2.148800       1.777000       1.455800    
 H    6.791000      -1.692300      0.7342000    
 H    5.381900      -2.096600       1.709400    
 H    5.857100      -3.142400      0.3505000    
 H   -3.512400     -0.7162000       1.399600    
 H  -0.5141000      -4.162800     -4.4000000E-03
 H  -0.7379000      -3.683400      -1.697700    
 H   -2.096500      -4.422100     -0.7991000    
 H    1.114300       1.863800      -1.334900    
 H   0.7229000       3.054700     -7.1400002E-02
 H    1.320900       3.588100      -1.643100    
 H    4.835800       3.369200     -0.5130000    
 H    3.656200       4.071600      -1.755900    
 H   -5.148100       2.247700      -2.128500    
 H   -6.707500      0.7947000       2.340200    
 H   -6.020200     -0.3056000       1.128100    
 H   -7.052100       1.065300      0.6190000    


%chk=000132685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132685

0 1
S 3.199631 -2.174528 -0.549436
S -1.346793 0.657769 1.132999
P -5.282212 1.649484 0.577953
O -3.926441 0.627161 0.089595
O 6.010480 0.626989 -0.006131
O -4.087153 -2.242988 0.752804
O -6.632934 0.645811 0.787486
O -5.605438 2.322326 -0.964841
O -4.973051 2.585769 1.812422
N 3.680031 0.381158 0.174309
N -1.774312 -1.927502 0.443288
N 1.398426 -0.215795 0.383131
N 0.488727 -1.289882 0.225765
C 4.993181 -1.523012 -0.644813
C 4.974926 -0.072590 -0.139982
C 3.472442 1.776786 0.665885
C 2.630323 -0.536705 0.062136
C 5.976020 -2.396673 0.153131
C -3.121364 -0.010284 1.128323
C 3.332244 2.798042 -0.461156
C -3.064295 -1.509970 0.774886
C -0.743228 -0.978325 0.529297
C -1.496973 -3.312344 0.016614
C 2.103210 2.684717 -1.342476
C 4.269429 3.769320 -0.613398
C -6.937945 -0.446592 -0.183886
H 5.267558 -1.508126 -1.714076
H 4.347789 2.018636 1.291854
H 2.560987 1.753160 1.288591
H 6.982591 -1.945004 0.100870
H 5.675795 -2.465537 1.212284
H 6.024245 -3.416585 -0.264426
H -3.553410 0.148415 2.131118
H -0.757855 -3.772422 0.692042
H -1.088267 -3.315717 -1.006888
H -2.449355 -3.863582 0.052345
H 2.086508 1.720596 -1.886227
H 1.175932 2.714577 -0.739352
H 2.069698 3.498130 -2.086823
H 5.159710 3.815084 0.023776
H 4.174250 4.539036 -1.388116
H -4.882716 2.880905 -1.347252
H -7.911963 -0.828463 0.154187
H -6.164425 -1.229280 -0.113633
H -7.012904 -0.039466 -1.206079


