%chk=000089505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089505

0 1
 S    5.492400      -2.008800     -0.2865000    
 S    2.324100     -0.7361000      0.1811000    
 O    4.295600      -2.745000      0.5414000    
 O    5.388200      -2.433900      -1.669800    
 O    6.728000      -2.160500      0.4574000    
 O   -6.713600       1.917500      -1.032600    
 N    2.134300       1.836000      0.2015000    
 N   -7.449200     -0.2487000      -1.583500    
 N   -4.685900      3.2699998E-02  0.1047000    
 N   -7.317500      -1.524200      -1.116900    
 N   -4.119600      0.4587000       1.136100    
 C    5.086600     -0.2954000     -0.2298000    
 C    3.775400      0.1689000     -3.6800001E-02
 C    3.473700       1.533500      3.7000000E-03
 C    6.106600      0.6469000     -0.3840000    
 C    1.443600      0.7249000      0.3073000    
 C    4.523200       2.464400     -0.1547000    
 C    5.830800       2.009300     -0.3473000    
 C   1.7100001E-02  0.6569000      0.5182000    
 C   -6.135800     -5.4900002E-02  0.2738000    
 C    7.526400      0.2245000     -0.5942000    
 C   -6.574000      -1.448400     -5.6400001E-02
 C  -0.7856000       1.756200      0.2164000    
 C  -0.5560000     -0.5085000       1.025800    
 C   -6.783100      0.7173000     -0.8346000    
 C   -2.737900      0.5248000      0.9301000    
 C   -2.163500       1.690200      0.4226000    
 C   -1.934000     -0.5747000       1.231800    
 C   -6.190200      -2.623600      0.7751000    
 H    4.318900       3.531000     -0.1270000    
 H    6.624600       2.743000     -0.4648000    
 H   -6.518100      0.2565000       1.250900    
 H    8.124800       1.059700     -0.9794000    
 H    7.990500     -7.8100003E-02  0.3492000    
 H    7.618800     -0.5621000      -1.349200    
 H  -0.3616000       2.674400     -0.1829000    
 H   1.4100000E-02  -1.388700       1.306600    
 H   -2.781600       2.552000      0.1844000    
 H   -2.372500      -1.484700       1.633600    
 H   -6.495900      -2.450600       1.810100    
 H   -5.106200      -2.759100      0.7392000    
 H   -6.676800      -3.528700      0.4026000    
 H   -7.996800     -8.7300003E-02  -2.420100    
 H    3.432900      -2.815000      6.9300003E-02


%chk=000089505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089505

0 1
S 6.448720 -1.211619 1.153427
S 2.781318 -0.839728 1.029452
O 5.044714 -1.806237 2.207453
O 6.987519 -2.463567 0.279283
O 7.501594 -0.423087 2.089804
O -6.767262 1.687936 2.207438
N 1.997718 1.034233 -0.749609
N -8.144534 1.110646 0.358931
N -4.939078 -0.026323 0.313010
N -8.224426 0.135306 -0.674379
N -4.090776 -0.663154 1.069793
C 5.442034 0.002497 0.087116
C 4.035790 0.067795 0.097282
C 3.394986 1.014162 -0.787075
C 6.245758 0.814365 -0.756773
C 1.501522 0.158374 0.109955
C 4.171019 1.843327 -1.626890
C 5.568638 1.736891 -1.605870
C 0.072800 -0.048354 0.357735
C -6.338457 -0.321431 0.699685
C 7.761775 0.742575 -0.791184
C -7.198623 -0.685054 -0.511435
C -0.873362 0.724391 -0.384057
C -0.397952 -0.990903 1.312821
C -7.061176 0.966857 1.227679
C -2.710298 -0.398543 0.770036
C -2.248407 0.554174 -0.183453
C -1.777807 -1.160995 1.518705
C -6.924552 -1.825632 -1.438332
H 3.658608 2.550865 -2.284051
H 6.172907 2.372638 -2.260512
H -6.375495 -1.101095 1.489741
H 8.149480 1.341200 -1.630507
H 8.202640 1.125792 0.146240
H 8.122910 -0.294893 -0.917091
H -0.493233 1.450399 -1.108772
H 0.310809 -1.587603 1.898078
H -2.982303 1.142462 -0.742016
H -2.161159 -1.876086 2.253093
H -6.905436 -2.789046 -0.894636
H -5.933522 -1.704194 -1.915245
H -7.695556 -1.875009 -2.223632
H -8.855505 1.838803 0.397682
H 5.340861 -2.660837 2.633478


