%chk=000024494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024494

0 1
 S    1.198200      -2.050300       1.615800    
 S    4.531800       2.676700      -1.059600    
 O    2.154700      -3.197700       1.758100    
 N   -2.925800      0.6118000      5.0299998E-02
 N   0.2281000     -0.2719000     -0.7298000    
 C   -1.799200       1.387400      0.6062000    
 C   -2.245300       2.533200       1.533100    
 C  -0.9008000       1.900300     -0.5283000    
 C   -3.312100       3.421700      0.9007000    
 C   -3.964900       1.462900     -0.5479000    
 C   -4.465600       2.581900      0.3666000    
 C  -0.4927000      0.7691000      -1.468700    
 C   -3.488900     -0.3121000       1.035700    
 C    1.521800      2.9800000E-02 -0.2478000    
 C  -0.3304000      -1.569400     -0.6944000    
 C    2.112200     -0.7573000      0.7583000    
 C   9.0000004E-02  -2.503400      0.2708000    
 C    2.294500       1.081100     -0.7854000    
 C   -1.277200      -2.003100      -1.646600    
 C    3.416900     -0.4844000       1.205600    
 C  -0.4328000      -3.808600      0.2775000    
 C    3.592800       1.342800     -0.3409000    
 C   -1.787900      -3.303300      -1.638200    
 C    4.155100      0.5583000      0.6548000    
 C   -1.364200      -4.207500     -0.6758000    
 C    3.491400       4.111900     -0.6699000    
 H   -1.180300      0.7215000       1.222100    
 H   -1.382500       3.146100       1.820500    
 H   -2.645100       2.111800       2.464200    
 H  -2.3399999E-02   2.393500     -9.4599999E-02
 H   -1.408400       2.670900      -1.120300    
 H   -2.875900       4.010700      8.5699998E-02
 H   -3.685500       4.138300       1.641000    
 H   -4.813600      0.8484000     -0.8736000    
 H   -3.571000       1.908300      -1.469800    
 H   -5.030600       2.158000       1.205300    
 H   -5.160700       3.224200     -0.1862000    
 H   0.1045000       1.152100      -2.304000    
 H   -1.405100      0.4377000      -1.965600    
 H   -3.931900      0.1959000       1.898000    
 H   -2.719100     -0.9981000       1.405800    
 H   -4.260800     -0.9384000      0.5745000    
 H    1.906900       1.703200      -1.586700    
 H   -1.611300      -1.381800      -2.470600    
 H    3.867400      -1.075600       1.999900    
 H  -0.1281000      -4.525900       1.036200    
 H   -2.505800      -3.609100      -2.393700    
 H    5.161800      0.7442000       1.020100    
 H   -1.759300      -5.218600     -0.6634000    
 H    3.306100       4.166200      0.4063000    
 H    2.537400       4.055200      -1.200400    
 H    4.007800       5.023500     -0.9822000    


%chk=000024494-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024494

0 1
S 0.896551 -2.085896 1.830638
S 4.581698 2.732094 -0.504453
O 1.903654 -3.301327 2.385094
N -3.200161 0.846677 0.213716
N 0.143726 -0.264387 -0.555587
C -1.992529 1.501822 0.803399
C -2.354399 2.660705 1.783006
C -1.016621 1.959954 -0.315255
C -3.343429 3.674613 1.155384
C -4.168835 1.816625 -0.363704
C -4.596401 2.943127 0.616181
C -0.629744 0.793687 -1.250666
C -3.815431 -0.171212 1.092186
C 1.417767 0.045947 0.009746
C -0.182964 -1.639843 -0.775702
C 1.979150 -0.770909 1.021126
C 0.199155 -2.635617 0.159035
C 2.206256 1.130380 -0.469056
C -0.826998 -2.090834 -1.962467
C 3.281589 -0.586712 1.507547
C 0.024641 -4.008885 -0.057881
C 3.501538 1.354876 0.045385
C -1.053838 -3.466976 -2.176176
C 4.056266 0.484554 1.022077
C -0.616169 -4.436253 -1.242815
C 3.511779 3.626292 -1.757723
H -1.464502 0.716736 1.380028
H -1.428608 3.171828 2.112760
H -2.819142 2.226653 2.691307
H -0.122298 2.407093 0.157764
H -1.477300 2.750328 -0.939460
H -2.852820 4.223107 0.325049
H -3.630398 4.434843 1.906511
H -5.049360 1.249208 -0.718564
H -3.708576 2.284027 -1.258641
H -5.167600 2.510411 1.461949
H -5.271385 3.652007 0.097804
H -0.091549 1.165965 -2.148302
H -1.580743 0.340394 -1.575271
H -4.234577 0.223091 2.049289
H -3.060827 -0.938142 1.344175
H -4.635948 -0.674016 0.548533
H 1.808135 1.761985 -1.266372
H -1.118990 -1.372991 -2.734321
H 3.672106 -1.285145 2.256726
H 0.392788 -4.715177 0.695663
H -1.553245 -3.785316 -3.098075
H 5.069203 0.652110 1.401768
H -0.775313 -5.502440 -1.431895
H 2.583089 3.990438 -1.290297
H 3.290970 2.977524 -2.619976
H 4.113845 4.485075 -2.092483


