%chk=000134819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134819

0 1
 S   -1.065700     -0.8695000     -0.2102000    
 O   -3.445300       2.696800      0.8053000    
 O   -5.703100     -0.9753000       1.422600    
 O   -5.596400     -0.5217000     -0.8087000    
 O    1.047000       2.838200      -1.576600    
 O    5.326600     -0.8831000       1.828800    
 O    6.228100      0.7737000      0.5821000    
 O    3.025000      -2.298700      -2.045400    
 N   -3.163300      0.6510000     -0.3375000    
 N  -0.3656000       2.117300      0.1189000    
 N    3.467400      -1.483400      9.0499997E-02
 C   -1.928500      0.4722000      -1.107000    
 C   -2.689900      -1.630600      0.2920000    
 C   -3.601200     -0.4106000      0.5461000    
 C   -1.557100       1.911000     -0.7225000    
 C   -2.893400       1.932900      4.6100002E-02
 C   -2.482800      -2.447400       1.568800    
 C   -3.154900      -2.546400     -0.8485000    
 C   -5.056100     -0.6331000      0.2818000    
 C   0.8404000       2.567800     -0.3954000    
 C    1.925100       2.696200      0.6547000    
 C    2.740500       1.414300      0.8194000    
 C    3.413600      0.9064000     -0.4638000    
 C    4.272400     -0.3518000     -0.2901000    
 C    5.370200     -9.0300001E-02  0.7311000    
 C    2.909800      -2.364600     -0.8244000    
 C    2.137200      -3.471300     -0.1582000    
 H   -2.112600      0.2922000      -2.170100    
 H   -3.484500     -3.2600001E-02   1.571200    
 H   -1.578900       2.607200      -1.570800    
 H   -3.429600      -2.884700       1.905700    
 H   -2.097800      -1.831400       2.389700    
 H   -1.779100      -3.273000       1.410500    
 H   -3.330800      -1.996500      -1.779800    
 H   -4.089700      -3.055000     -0.5861000    
 H   -2.417100      -3.330300      -1.058200    
 H  -0.4144000       1.908600       1.113400    
 H    2.580900       3.523600      0.3590000    
 H    1.478500       2.977600       1.615400    
 H   -6.660300      -1.125800       1.269900    
 H    2.080600      0.6289000       1.208600    
 H    3.497500       1.598000       1.590400    
 H    4.040200       1.712700     -0.8666000    
 H    2.646700      0.6986000      -1.219800    
 H    4.767500     -0.5942000      -1.237800    
 H    3.300600      -1.635000       1.081300    
 H    6.048900     -0.6761000       2.459500    
 H    1.608900      -3.102800      0.7258000    
 H    1.399300      -3.873500     -0.8581000    
 H    2.828100      -4.265200      0.1375000    


%chk=000134819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134819

0 1
S -1.212208 -1.070276 0.736384
O -3.276146 2.666471 0.691871
O -6.146469 -1.307398 0.251080
O -5.209880 -0.811524 -1.821786
O 0.988325 3.251736 -1.218272
O 5.819075 -0.936154 1.274580
O 6.524123 0.867091 -0.008213
O 2.251575 -1.438893 -1.944283
N -3.031874 0.510091 -0.410022
N -0.078662 1.900686 0.347775
N 3.629977 -1.380066 -0.076858
C -1.635536 0.103479 -0.709990
C -3.061051 -1.702412 0.722235
C -3.918248 -0.427181 0.277110
C -1.194469 1.604032 -0.511163
C -2.653792 1.809999 0.045417
C -3.436179 -2.150243 2.145590
C -3.150044 -2.867282 -0.287726
C -5.116048 -0.841156 -0.582382
C 0.985564 2.699343 -0.079730
C 2.154307 2.790523 0.901563
C 3.008933 1.488691 0.909812
C 3.528067 1.123948 -0.495889
C 4.364434 -0.193771 -0.542683
C 5.669424 -0.010029 0.223208
C 2.623182 -1.947883 -0.840291
C 1.987346 -3.207322 -0.262147
H -1.441278 -0.382429 -1.674100
H -4.316209 0.069456 1.182142
H -1.022788 2.128654 -1.468116
H -4.502614 -2.441237 2.170199
H -3.279047 -1.340032 2.878431
H -2.835536 -3.023358 2.455630
H -2.894312 -2.549097 -1.312744
H -4.172738 -3.290849 -0.300488
H -2.453711 -3.669573 0.007356
H -0.061958 1.484411 1.281790
H 2.777031 3.642800 0.581518
H 1.787620 2.999534 1.925203
H -6.925920 -1.580372 -0.305212
H 2.412941 0.646378 1.313277
H 3.857537 1.645762 1.605135
H 4.159477 1.939398 -0.894711
H 2.688311 0.985931 -1.197890
H 4.631952 -0.345913 -1.608645
H 3.954733 -1.831226 0.780302
H 6.681256 -0.771270 1.742633
H 2.490353 -3.575006 0.649130
H 0.928781 -2.994438 -0.027091
H 2.005292 -4.000723 -1.028437


