%chk=000148102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148102

0 1
 S    2.993100       2.629200     -0.6318000    
 O    2.016000       1.511600      5.3500000E-02
 O   -2.761000      0.8049000      0.4200000    
 O   -2.561200      -1.068700     -0.8712000    
 O    1.091000      -4.464700      -1.416700    
 O    4.341700       2.105500     -0.7088000    
 O    2.705800       3.931100     -6.4700000E-02
 N  -0.8162000     -0.3784000      0.5110000    
 C    1.173900      0.1351000       1.815000    
 C  -0.2667000      0.5756000       1.493600    
 C    1.299400      -1.125200       1.006900    
 C   0.1408000      -1.381400      0.2692000    
 C    2.198200       1.192100       1.421500    
 C    2.389300      -1.982800      0.9471000    
 C   5.3100001E-02  -2.496100     -0.5520000    
 C   -2.081300     -0.2893000     -5.2999999E-02
 C   -4.083000      0.9985000     -9.6299998E-02
 C    2.309400      -3.107100      0.1255000    
 C    1.149700      -3.360700     -0.6195000    
 C   -4.927000     -0.2253000      0.2571000    
 C   -4.654100       2.253200      0.5606000    
 C   -3.992100       1.178800      -1.610900    
 C    2.281200       2.564300      -2.256200    
 H    1.265800     -9.6199997E-02   2.882600    
 H  -0.8973000      0.5269000       2.390200    
 H  -0.3456000       1.594000       1.096300    
 H    3.219500      0.8276000       1.578600    
 H    2.055300       2.095000       2.025800    
 H    3.287600      -1.788400       1.523600    
 H  -0.8325000      -2.717900      -1.135400    
 H    3.158500      -3.783700      7.1000002E-02
 H   -4.755200     -0.5348000       1.294600    
 H   -5.994100      3.0000000E-03  0.1482000    
 H   -4.750800      -1.099600     -0.3746000    
 H   -4.022600       3.123800      0.3490000    
 H   -4.675900       2.144700       1.651000    
 H   -5.669800       2.469700      0.2137000    
 H   -3.831800      0.2550000      -2.172200    
 H   -4.925100       1.602100      -2.001800    
 H   -3.177100       1.862500      -1.875700    
 H    1.930500      -4.950500      -1.345100    
 H    2.389000       1.551500      -2.648900    
 H    1.228400       2.845800      -2.192100    
 H    2.819100       3.270900      -2.891700    


%chk=000148102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148102

0 1
S 3.271160 2.064201 -0.744975
O 1.724868 2.151486 0.354599
O -2.907196 0.729669 0.494650
O -2.424507 -0.923200 -1.137053
O 1.512322 -3.757447 -2.048449
O 4.427118 1.262375 0.069463
O 3.549141 3.549173 -1.308396
N -0.854084 -0.237957 0.471333
C 1.023081 0.348130 1.901094
C -0.489800 0.639644 1.626153
C 1.350671 -0.785720 0.937235
C 0.231506 -1.076249 0.109260
C 1.913735 1.598406 1.707813
C 2.547649 -1.495862 0.762150
C 0.279219 -2.063611 -0.894708
C -2.096313 -0.209088 -0.150218
C -4.330089 0.978526 -0.001776
C 2.629482 -2.500123 -0.235351
C 1.496629 -2.772084 -1.044896
C -5.151663 -0.318399 0.136180
C -4.817667 2.063658 0.973571
C -4.281259 1.502132 -1.450945
C 2.551165 0.980961 -2.127374
H 1.164388 0.028420 2.953066
H -1.128009 0.393321 2.491950
H -0.667175 1.693190 1.356298
H 2.982129 1.341912 1.866381
H 1.634876 2.403847 2.413555
H 3.426446 -1.269952 1.374372
H -0.580373 -2.285208 -1.527831
H 3.561774 -3.060669 -0.376126
H -5.114355 -0.691302 1.175235
H -6.207572 -0.111398 -0.117114
H -4.772051 -1.099763 -0.540341
H -4.186799 2.966174 0.899528
H -4.783795 1.695851 2.013620
H -5.859201 2.341682 0.732658
H -3.909179 0.727832 -2.139658
H -5.298090 1.799166 -1.766692
H -3.627925 2.390251 -1.518423
H 2.381786 -4.229304 -2.063903
H 2.367253 -0.004164 -1.679542
H 1.625048 1.481798 -2.438648
H 3.311555 0.961296 -2.920749


