%chk=000177277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177277

0 1
 S    2.863500       1.461800     -0.8946000    
 O    2.932700      -2.995300      0.4258000    
 O  -0.7782000     -0.4738000      -1.990500    
 O    5.466400      -1.435300       2.080600    
 O    6.603700      -2.337000      0.3133000    
 O   -3.578500     -0.3670000       2.064000    
 N    3.799700     -0.9809000     -0.4412000    
 N   0.7517000     -0.6707000     -0.2579000    
 N   -2.788100     -0.1969000     -0.1097000    
 C    3.020300     -0.2574000      -1.429200    
 C    1.854400      -1.200400      -1.059300    
 C    2.912700      -1.976500     -0.2246000    
 C    5.026900     -0.5884000     -1.2900000E-02
 C    4.664900       1.752200     -0.9252000    
 C    5.494300      0.6597000     -0.2542000    
 C  -0.4925000     -0.3469000     -0.8013000    
 C   -1.453400      0.2324000      0.2289000    
 C    6.875400       1.144300      0.1167000    
 C    5.798100      -1.557200      0.7802000    
 C   -1.348900       1.737400      0.3104000    
 C  -0.4516000       2.307700       1.198600    
 C   -2.152000       2.518200     -0.5048000    
 C   -3.751800     -0.4642000      0.8520000    
 C  -0.3549000       3.697200       1.273800    
 C   -2.055100       3.907700     -0.4296000    
 C   -5.069600     -0.9226000      0.3417000    
 C   -1.156400       4.497100      0.4597000    
 C   -5.856600      -1.717000       1.149300    
 C   -5.464300     -0.5387000     -0.9231000    
 C   -7.094000      -2.147300      0.6704000    
 C   -6.701800     -0.9689000      -1.401800    
 C   -7.516600      -1.773300     -0.6050000    
 H    3.393700     -0.3931000      -2.451200    
 H    1.495100      -1.797100      -1.907100    
 H   0.8912000     -0.5106000      0.7370000    
 H    4.829100       2.707100     -0.4147000    
 H    4.989600       1.868800      -1.964900    
 H   -1.219800     -0.1959000       1.212500    
 H    7.504400      0.3603000      0.5472000    
 H    6.807500       1.954000      0.8506000    
 H    7.391600       1.522700     -0.7722000    
 H   -2.983900     -0.3557000      -1.092400    
 H    5.959700      -2.065400       2.648100    
 H   0.1773000       1.694300       1.837200    
 H   -2.848400       2.088800      -1.218600    
 H   0.3453000       4.156100       1.965600    
 H   -2.676300       4.531000      -1.066300    
 H   -1.080100       5.579000      0.5172000    
 H   -5.540300      -2.021200       2.142600    
 H   -4.878800      0.1153000      -1.560400    
 H   -7.728300      -2.774200       1.290300    
 H   -7.035300     -0.6710000      -2.391700    
 H   -8.480900      -2.106800     -0.9772000    


%chk=000177277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177277

0 1
S 2.957848 1.674310 -0.638459
O 3.085256 -2.367628 1.307147
O -0.859509 -1.362113 -1.343482
O 7.270627 -1.330863 1.005448
O 5.935568 -2.886897 -0.083157
O -4.026956 0.036282 2.000197
N 3.974869 -0.896039 -0.433878
N 0.732687 -0.446917 0.089346
N -2.948220 -0.400569 -0.001185
C 2.981580 -0.134964 -1.211176
C 1.856795 -1.047704 -0.586253
C 3.006947 -1.631440 0.315156
C 5.326091 -0.534050 -0.205770
C 4.826820 1.866546 -0.920086
C 5.754770 0.752911 -0.447828
C -0.567405 -0.660806 -0.326454
C -1.652438 0.018722 0.541161
C 7.193210 1.218990 -0.345341
C 6.171793 -1.694741 0.212816
C -1.469158 1.544790 0.592207
C -1.540077 2.219617 1.834132
C -1.247665 2.290176 -0.593838
C -4.081092 -0.367530 0.791249
C -1.380471 3.622693 1.893189
C -1.089400 3.690938 -0.535397
C -5.366250 -0.839802 0.163292
C -1.152851 4.360934 0.709661
C -6.451504 -1.119064 1.032633
C -5.539988 -0.998631 -1.236903
C -7.684296 -1.566951 0.515583
C -6.775733 -1.444783 -1.754220
C -7.849085 -1.734865 -0.880047
H 3.122473 -0.169549 -2.301496
H 1.462211 -1.774152 -1.316752
H 0.902793 0.176304 0.883349
H 5.089025 2.802351 -0.394339
H 4.983027 2.045758 -2.000894
H -1.574569 -0.361965 1.580894
H 7.913612 0.390399 -0.356701
H 7.347116 1.771348 0.602325
H 7.427371 1.917590 -1.171458
H -2.905310 -0.906367 -0.893214
H 7.760343 -2.161704 1.254742
H -1.758190 1.648195 2.743051
H -1.199673 1.775008 -1.561573
H -1.445093 4.138110 2.857747
H -0.915729 4.260119 -1.455406
H -1.031534 5.449102 0.754777
H -6.299810 -0.970028 2.106725
H -4.732409 -0.749511 -1.935167
H -8.515236 -1.784024 1.195719
H -6.903459 -1.559392 -2.836241
H -8.806921 -2.081746 -1.283726


