%chk=000170300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170300

0 1
 S    6.099100      -3.547700      1.9999999E-04
 S   -6.098800      -3.547900     -6.0000003E-04
 O    5.021500      -4.777200      6.9999998E-04
 O   -5.021000      -4.777400     -3.0000001E-04
 O    6.816000      -3.612100      -1.265100    
 O    6.819800      -3.578700       1.263300    
 O   -6.816200      -3.612300       1.264500    
 O   -6.819100      -3.579100      -1.264000    
 N    1.367500       3.818800       0.000000    
 N   -1.367600       3.818800       0.000000    
 C    1.392200       1.418200      3.0000001E-04
 C   -1.392400       1.418100      3.9999999E-04
 C   0.6966000       2.648300      1.9999999E-04
 C  -0.6968000       2.648300      1.9999999E-04
 C    2.793700       1.438800      9.9999997E-05
 C   -2.793900       1.438800      3.9999999E-04
 C   0.6936000      0.2072000      3.9999999E-04
 C  -0.6939000      0.2072000      5.0000002E-04
 C    3.597000      0.2270000      1.9999999E-04
 C   -3.597100      0.2270000      9.9999997E-05
 C    3.474800       2.645700     -9.9999997E-05
 C   -3.475000       2.645900      9.9999997E-05
 C    2.720200       3.798800     -9.9999997E-05
 C   -2.720300       3.798800     -9.9999997E-05
 C    3.978400     -0.3482000       1.208100    
 C   -3.978000     -0.3484000      -1.207800    
 C    3.978200     -0.3485000      -1.207900    
 C   -3.978800     -0.3484000       1.208000    
 C    3.404900       5.124600     -1.3000000E-03
 C   -3.404800       5.124700     -3.0000001E-04
 C    5.134400      -2.092400      9.9999997E-05
 C   -5.134300      -2.092500     -1.9999999E-04
 C    4.749200      -1.510800       1.208100    
 C   -4.748600      -1.511100      -1.208100    
 C    4.748900      -1.511100      -1.208000    
 C   -4.749400      -1.511100       1.208000    
 H    1.193300     -0.7575000      5.0000002E-04
 H   -1.193600     -0.7575000      6.9999998E-04
 H    4.559900       2.691000     -3.9999999E-04
 H   -4.560000       2.691200     -9.9999997E-05
 H    3.684200      9.1799997E-02   2.157800    
 H   -3.683300      9.1600001E-02  -2.157400    
 H    3.683800      9.1600001E-02  -2.157600    
 H   -3.684900      9.1799997E-02   2.157800    
 H    4.029500       5.229800     -0.8940000    
 H    2.677400       5.943200     -9.9999997E-05
 H    4.032500       5.229900      0.8894000    
 H   -2.677400       5.943200     -6.0000003E-04
 H   -4.031100       5.229800     -0.8919000    
 H   -4.030800       5.230200      0.8915000    
 H    5.030600      -1.949500       2.161200    
 H   -5.029500      -1.950000      -2.161300    
 H    5.031100      -1.950500      -2.160500    
 H   -5.032000      -1.950400       2.160500    
 H    4.425900      -4.817700     -0.7843000    
 H   -4.425800      -4.817600      0.7848000    


%chk=000170300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170300

0 1
S 6.559474 -3.499271 0.052409
S -6.559392 -3.499454 -0.051983
O 5.446260 -4.641258 -0.903116
O -5.446095 -4.641312 0.903602
O 7.895280 -3.230626 -0.819741
O 6.661539 -4.035886 1.575360
O -7.895157 -3.230731 0.820204
O -6.661524 -4.036255 -1.574866
N 1.365144 3.861544 -0.182937
N -1.365251 3.861529 0.182274
C 1.439660 1.384740 -0.093115
C -1.439689 1.384708 0.092854
C 0.731229 2.642997 -0.071244
C -0.731299 2.642985 0.070771
C 2.879615 1.429859 -0.199718
C -2.879649 1.429799 0.199439
C 0.690106 0.153125 -0.042598
C -0.690091 0.153110 0.042570
C 3.734365 0.205558 -0.153782
C -3.734366 0.205470 0.153681
C 3.492867 2.685071 -0.333706
C -3.492938 2.685015 0.333231
C 2.710649 3.882974 -0.328653
C -2.710756 3.882940 0.327996
C 3.623902 -0.728127 0.914060
C -3.623883 -0.728363 -0.914030
C 4.723393 -0.004980 -1.153414
C -4.723398 -0.004946 1.153335
C 3.371489 5.237301 -0.470870
C -3.371638 5.237270 0.469995
C 5.417992 -2.019347 -0.037758
C -5.417945 -2.019490 0.037966
C 4.469195 -1.854575 0.983283
C -4.469151 -1.854840 -0.983096
C 5.575673 -1.128039 -1.109632
C -5.575650 -1.128032 1.109711
H 1.224500 -0.800153 -0.093470
H -1.224449 -0.800177 0.093634
H 4.583439 2.758442 -0.404857
H -4.583513 2.758366 0.404357
H 2.893585 -0.556329 1.711020
H -2.893577 -0.556657 -1.711020
H 4.810539 0.704654 -1.982653
H -4.810564 0.704804 1.982473
H 3.925051 5.315823 -1.425518
H 2.602483 6.023524 -0.439493
H 4.098469 5.416136 0.343690
H -2.602654 6.023509 0.438516
H -4.098606 5.415963 -0.344608
H -3.925223 5.315917 1.424619
H 4.409056 -2.567759 1.811114
H -4.408991 -2.568137 -1.810828
H 6.340680 -1.300238 -1.872945
H -6.340657 -1.300142 1.873046
H 5.901600 -5.531699 -0.958395
H -5.901323 -5.531812 0.958835


