%chk=000024171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024171

0 1
 S    5.778600      -2.110100      0.4135000    
 O    1.158300       2.610200       1.482200    
 O    5.992800      0.9897000      -2.057900    
 O   -8.299000     -0.8510000      -1.253300    
 O    6.898900      -2.653600       1.158500    
 O    4.422100      -2.519600      0.7194000    
 N   -1.131100      0.9277000       1.206700    
 N    5.916600     -0.3944000      0.4009000    
 C   3.9799999E-02  0.7722000      0.3346000    
 C    1.308200       1.246100       1.079300    
 C    2.567500       1.173700      0.2425000    
 C   -2.343400      0.5438000      0.5045000    
 C   0.1213000     -0.6956000     -8.9100003E-02
 C   -3.571100      0.7081000       1.401200    
 C    3.643300      0.4345000      0.7021000    
 C    2.614000       1.848700     -0.9644000    
 C    4.803000      0.3683000     -7.0100002E-02
 C   -4.834500      0.2913000      0.6913000    
 C    3.773800       1.782400      -1.736800    
 C    4.868200       1.042200      -1.289600    
 C   -5.259800      -1.025700      0.7762000    
 C   -5.550200       1.232000     -3.3399999E-02
 C   -6.428900      -1.411400      0.1203000    
 C   -6.719300      0.8462000     -0.6892000    
 C   -7.158700     -0.4754000     -0.6123000    
 C    6.081000      -2.462700      -1.303600    
 C   -8.691300      -2.217500      -1.133400    
 H  -0.1115000       1.393900     -0.5570000    
 H    1.433600      0.6604000       1.998700    
 H   -1.203000       1.896200       1.516800    
 H   -2.326500     -0.5086000      0.2053000    
 H   -2.469300       1.147100     -0.4036000    
 H  -0.6298000     -0.9588000     -0.8407000    
 H   2.1800000E-02  -1.374500      0.7660000    
 H    1.083800     -0.9193000     -0.5614000    
 H   -3.665000       1.751200       1.731600    
 H   -3.455300      0.1155000       2.318700    
 H    3.592800     -7.8100003E-02   1.659100    
 H    1.777300       2.439600      -1.323900    
 H   0.5443000       3.050300      0.8707000    
 H    3.811600       2.314500      -2.683600    
 H    6.827100     -3.2800000E-02  8.6400002E-02
 H   -4.696500      -1.761600       1.343200    
 H   -5.215200       2.263100     -0.1007000    
 H   -6.712500      -2.453400      0.2211000    
 H   -7.283400       1.579700      -1.258900    
 H    6.092700      -3.548100      -1.425700    
 H    5.278600      -2.035700      -1.907300    
 H    7.051100      -2.050200      -1.586700    
 H    5.851000       1.514000      -2.864700    
 H   -8.918600      -2.481300     -9.4999999E-02
 H   -9.617900      -2.339100      -1.704100    
 H   -7.950400      -2.889500      -1.579800    


%chk=000024171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000024171

0 1
S 6.361768 -1.745965 0.700661
O 0.894052 2.253022 1.517163
O 6.303870 1.453325 -1.872867
O -8.707792 -0.465063 -1.133542
O 7.919553 -2.010864 1.061233
O 5.148970 -2.239396 1.654421
N -1.100281 0.419512 0.948988
N 6.211336 0.168837 0.555245
C 0.084538 0.398883 0.066958
C 1.276559 0.944943 0.901645
C 2.584154 1.071372 0.135485
C -2.406795 0.207617 0.299038
C 0.381596 -1.028073 -0.442684
C -3.551602 0.371371 1.331521
C 3.776952 0.536534 0.671681
C 2.643994 1.785219 -1.093281
C 5.014272 0.674675 -0.007535
C -4.922025 0.129322 0.719215
C 3.867480 1.947620 -1.779102
C 5.042478 1.377046 -1.250769
C -5.554825 -1.132661 0.813550
C -5.593549 1.154379 -0.002220
C -6.812186 -1.382446 0.214683
C -6.844262 0.929394 -0.605609
C -7.458223 -0.343873 -0.499215
C 6.012489 -2.452644 -1.058311
C -9.388048 -1.757147 -1.036824
H -0.057688 1.068403 -0.825175
H 1.403702 0.281236 1.774245
H -1.087230 1.283534 1.512737
H -2.452315 -0.816313 -0.118488
H -2.585326 0.909299 -0.556810
H -0.469113 -1.423726 -1.024648
H 0.552920 -1.704447 0.413873
H 1.272342 -1.042155 -1.095745
H -3.498670 1.394236 1.757711
H -3.361139 -0.333005 2.162040
H 3.770250 0.010501 1.631470
H 1.733156 2.210995 -1.529467
H 1.144799 2.981390 0.893002
H 3.899128 2.498953 -2.727715
H 7.071780 0.468194 0.062191
H -5.061160 -1.939184 1.369898
H -5.131942 2.146519 -0.083545
H -7.270499 -2.371063 0.315464
H -7.366161 1.718331 -1.156130
H 6.037859 -3.545024 -0.942201
H 5.018350 -2.085825 -1.347863
H 6.816229 -2.076122 -1.705275
H 6.274942 2.009638 -2.688901
H -9.604994 -2.021890 0.016787
H -10.331451 -1.627938 -1.587647
H -8.791340 -2.564877 -1.504739


