%chk=000054246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054246

0 1
 S    3.294600      -1.439700     -0.7975000    
 Si   1.837700       1.158900     -0.2839000    
 N   -2.251400      0.3598000      1.2500000E-02
 C   0.2049000      0.2811000     -2.1199999E-02
 C   -1.041400       1.136700     -0.2625000    
 C   -2.285600     -0.8291000     -0.8459000    
 C   -3.450800       1.194900     -6.6699997E-02
 C   -3.594900      -1.622700     -0.8952000    
 C   -4.473000      0.7717000      0.9919000    
 C   -4.319700      -1.742100      0.4414000    
 C   -5.212000     -0.5350000      0.7199000    
 C    2.041700       1.636100      -2.062300    
 C    1.988900       2.608100      0.8602000    
 C    3.225500      4.4999998E-03  0.1247000    
 C    4.249900      6.9100000E-02   1.049400    
 C    5.095700      -1.076200      0.9979000    
 C    4.690000      -1.976300      3.7200000E-02
 H   0.2362000     -0.5688000     -0.7092000    
 H   0.1850000     -0.1229000      0.9986000    
 H   -1.004800       2.001200      0.4133000    
 H   -1.053300       1.531500      -1.287400    
 H   -1.543100      -1.546200     -0.4770000    
 H   -2.013600     -0.5791000      -1.880200    
 H   -3.886700       1.206200      -1.073200    
 H   -3.198600       2.239100      0.1617000    
 H   -3.359800      -2.632200      -1.256800    
 H   -4.265300      -1.184400      -1.645200    
 H   -5.222000       1.568500       1.085900    
 H   -3.979500      0.7088000       1.970900    
 H   -3.613300      -1.906700       1.263100    
 H   -4.965900      -2.627900      0.4003000    
 H   -5.900800     -0.3890000     -0.1218000    
 H   -5.840500     -0.7596000       1.590700    
 H    1.308600       2.397600      -2.346600    
 H    3.037000       2.050600      -2.250800    
 H    1.901700      0.7811000      -2.730800    
 H    2.960100       3.101300      0.7527000    
 H    1.216600       3.354900      0.6514000    
 H    1.880900       2.303400       1.905800    
 H    4.393800      0.8952000       1.734900    
 H    5.957900      -1.232200       1.633200    
 H    5.146300      -2.923300     -0.2143000    


%chk=000054246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054246

0 1
S 3.715866 -1.453124 -0.989355
Si 1.872924 1.126334 -0.281769
N -2.299021 0.273046 -0.263442
C 0.230719 0.124389 -0.199503
C -1.018546 0.953405 -0.581499
C -2.477092 -0.986292 -1.025708
C -3.477445 1.179479 -0.227590
C -3.856674 -1.662719 -0.848523
C -4.383593 0.910632 1.000270
C -4.406514 -1.670703 0.601211
C -5.214103 -0.392496 0.940342
C 2.100024 1.888785 -2.023648
C 1.891765 2.497642 1.052872
C 3.328445 -0.039865 0.088126
C 4.241343 -0.002441 1.140451
C 5.235596 -1.050612 1.124479
C 5.100373 -1.916570 0.051781
H 0.332671 -0.761673 -0.856087
H 0.104473 -0.257355 0.833261
H -1.009804 1.903465 -0.011957
H -0.952657 1.224763 -1.669972
H -1.693773 -1.692286 -0.688913
H -2.307024 -0.822711 -2.124496
H -4.077123 1.134851 -1.168120
H -3.102895 2.218597 -0.152962
H -3.753065 -2.701360 -1.220351
H -4.606833 -1.178746 -1.505565
H -5.078404 1.767476 1.128565
H -3.722078 0.887972 1.887915
H -3.571194 -1.792475 1.318119
H -5.073747 -2.546516 0.728501
H -6.016836 -0.280079 0.180690
H -5.725715 -0.528287 1.914789
H 1.285799 2.600078 -2.255722
H 3.060666 2.431234 -2.087699
H 2.100979 1.104475 -2.802744
H 2.848486 3.050771 1.039474
H 1.080299 3.226553 0.873572
H 1.748763 2.074346 2.063751
H 4.203481 0.766178 1.917742
H 6.018185 -1.154960 1.880273
H 5.700278 -2.786302 -0.211458


