%chk=000146050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146050

0 1
 S   0.1962000      0.7181000       2.331500    
 O    1.541500      5.9799999E-02  -2.060400    
 N   -1.300500      0.9547000     -0.3932000    
 C    1.583700      0.1569000     -0.6224000    
 C   0.4853000     -0.8008000     -7.1900003E-02
 C    1.133600       1.595400     -0.2252000    
 C  -0.9064000     -0.4316000     -0.6578000    
 C  -0.2704000       1.908600     -0.8130000    
 C   0.4730000     -0.8599000       1.468700    
 C    1.192800       1.836000       1.297400    
 C    3.029100     -0.2216000     -0.2727000    
 C   -2.588800       1.264000      -1.007900    
 C    3.373100      -1.560300     -9.4599999E-02
 C    3.994200      0.7742000     -0.1346000    
 C   -3.632100      0.3472000     -0.4423000    
 C    4.687000      -1.904500      0.2231000    
 C    5.308200      0.4298000      0.1830000    
 C    5.654400     -0.9095000      0.3618000    
 C   -3.884700     -0.8734000      -1.059200    
 C   -4.338500      0.7249000      0.6949000    
 C   -4.855000      -1.726300     -0.5331000    
 C   -5.308700     -0.1281000       1.220900    
 C   -5.566900      -1.353700      0.6069000    
 H   0.6665000      -1.818800     -0.4397000    
 H    1.792200       2.332200     -0.7028000    
 H  -0.9039000     -0.6351000      -1.737000    
 H   -1.591500      -1.142600     -0.1881000    
 H  -0.5600000       2.918600     -0.4954000    
 H  -0.2028000       1.936200      -1.908900    
 H  -0.3119000      -1.549000       1.800500    
 H    1.412300      -1.272900       1.848200    
 H    2.221300       1.776000       1.663500    
 H   0.8584000       2.856800       1.515200    
 H   -2.552500       1.172700      -2.101900    
 H   -2.874200       2.303100     -0.7976000    
 H    2.126000      0.7457000      -2.426800    
 H    2.659400      -2.367300     -0.2141000    
 H    3.777500       1.825300     -0.2858000    
 H    4.958300      -2.947600      0.3574000    
 H    6.063300       1.203700      0.2860000    
 H    6.678000      -1.177700      0.6067000    
 H   -3.354400      -1.171700      -1.959600    
 H   -4.144500       1.676000       1.183300    
 H   -5.059200      -2.678700      -1.013700    
 H   -5.862800      0.1617000       2.108900    
 H   -6.323000      -2.017400       1.016100    


%chk=000146050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146050

0 1
S 0.036747 0.640627 2.262278
O 1.718599 -0.080486 -2.101002
N -1.252194 0.705909 -0.694842
C 1.657879 0.125760 -0.615490
C 0.601515 -0.913233 -0.139833
C 1.080483 1.548357 -0.327602
C -0.747969 -0.673809 -0.862709
C -0.262807 1.728496 -1.078375
C 0.504361 -0.981149 1.400567
C 1.002303 1.868573 1.187999
C 3.086255 -0.115282 -0.085142
C -2.579140 0.916448 -1.300860
C 3.582753 -1.439772 0.054462
C 3.992216 0.955613 0.139450
C -3.702319 0.200930 -0.551974
C 4.921267 -1.685390 0.424497
C 5.335483 0.715117 0.506605
C 5.806975 -0.607367 0.655418
C -4.836216 -0.284381 -1.248387
C -3.648392 0.063612 0.858637
C -5.908011 -0.886873 -0.549819
C -4.716526 -0.542143 1.556912
C -5.851901 -1.016600 0.857164
H 0.941324 -1.913501 -0.476102
H 1.769858 2.303687 -0.764455
H -0.609010 -0.925628 -1.942630
H -1.502528 -1.370115 -0.451447
H -0.677148 2.725852 -0.831330
H -0.046773 1.713271 -2.176425
H -0.291216 -1.686131 1.697469
H 1.459723 -1.326635 1.829912
H 2.014425 1.948303 1.616870
H 0.481679 2.830293 1.339484
H -2.607864 0.615122 -2.381347
H -2.778249 2.007837 -1.278524
H 2.537759 0.367656 -2.435535
H 2.924242 -2.291520 -0.144295
H 3.661711 1.993546 0.028016
H 5.275804 -2.717084 0.527723
H 6.010685 1.561030 0.677706
H 6.846939 -0.796372 0.943336
H -4.880648 -0.192635 -2.341549
H -2.754332 0.426064 1.382206
H -6.779902 -1.258168 -1.100977
H -4.664953 -0.643200 2.647489
H -6.680290 -1.485527 1.400751


