%chk=000122624.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122624

0 1
 S    4.434100      -1.077100      0.8399000    
 S  -0.1667000       3.878100      0.8377000    
 O    2.495200      0.4391000      -1.487000    
 O  -0.3290000      -1.517000     -0.1006000    
 O   0.7842000      -3.375000     -0.8495000    
 N    1.951000      -1.613600      0.1078000    
 N    1.226200       1.891900     -0.2022000    
 C    1.907800     -0.2811000      0.6972000    
 C    3.115600     -9.5799997E-02   1.602200    
 C    1.909000      0.7047000     -0.4361000    
 C    3.286700      -2.185000     -7.7999998E-03
 C    1.157400       2.934100      -1.219300    
 C   0.4201000       2.173000      0.9791000    
 C   0.9472000       4.269100     -0.5298000    
 C   0.7980000      -2.262500     -0.3270000    
 C   -1.566200      -2.108800     -0.5125000    
 C   -2.689700      -1.166900     -0.1938000    
 C   -3.323500      -1.244300       1.041500    
 C   -3.086900     -0.2247000      -1.136200    
 C   -4.367900     -0.3685000       1.338100    
 C   -4.131200      0.6510000     -0.8394000    
 C   -4.771700      0.5792000      0.3977000    
 H   0.9970000     -0.1977000       1.293900    
 H    3.421800      0.9480000       1.714600    
 H    2.920700     -0.5134000       2.595300    
 H    3.288400      -3.180900      0.4451000    
 H    3.541700      -2.279300      -1.067600    
 H    2.061500       2.934800      -1.836900    
 H   0.3111000       2.691500      -1.874500    
 H    1.025500       2.051900       1.881300    
 H  -0.4324000       1.488300       1.008300    
 H    1.886900       4.648900     -0.1165000    
 H   0.5235000       5.021100      -1.200100    
 H   -1.537500      -2.313500      -1.590100    
 H   -1.711700      -3.062900      9.2000002E-03
 H   -3.015200      -1.976900       1.782300    
 H   -2.592800     -0.1578000      -2.101500    
 H   -4.866000     -0.4238000       2.301600    
 H   -4.444800       1.389900      -1.571000    
 H   -5.584300       1.261600      0.6289000    


%chk=000122624-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122624

0 1
S 3.912142 -1.051192 1.428436
S 1.829418 4.307499 1.291180
O 2.593365 0.750248 -1.697761
O -0.571513 -1.640666 -0.119373
O 0.818756 -3.473143 -0.629216
N 1.711129 -1.367399 -0.093498
N 1.377349 2.332989 -0.507780
C 1.530013 0.002102 0.403353
C 2.457239 0.152812 1.656033
C 1.888539 1.043553 -0.689098
C 3.101942 -1.805694 -0.142344
C 1.857151 3.447412 -1.355716
C 0.708984 2.856409 0.674934
C 2.650554 4.410939 -0.433104
C 0.678439 -2.265980 -0.307694
C -1.754392 -2.534223 -0.362796
C -2.990217 -1.733263 -0.034213
C -3.625996 -1.875826 1.224443
C -3.531119 -0.824561 -0.979596
C -4.780213 -1.122432 1.536736
C -4.682554 -0.067827 -0.670110
C -5.309895 -0.215546 0.589769
H 0.472342 0.113472 0.688758
H 2.858145 1.173816 1.763473
H 1.917199 -0.139991 2.570242
H 3.155115 -2.902568 -0.111581
H 3.617289 -1.381993 -1.014848
H 2.481379 3.027566 -2.159894
H 0.987922 3.968313 -1.797806
H 0.608453 2.123387 1.483548
H -0.270902 3.289330 0.418748
H 3.700174 4.099001 -0.324979
H 2.595190 5.452612 -0.783417
H -1.720385 -2.851257 -1.420252
H -1.647926 -3.429459 0.273905
H -3.216093 -2.578925 1.959687
H -3.046911 -0.711714 -1.957085
H -5.266011 -1.244175 2.511161
H -5.094199 0.629101 -1.408587
H -6.206802 0.366970 0.828643


