SHARC Initial conditions file, version 0.2
Ninit     1
Natom     6
Repr      None
Eref            0.0000000000
Eharm           0.0432384203

Equilibrium
 C   6.0   0.00000000   0.00000000  -0.29442094  12.00000000   0.00000000   0.00000000   0.00000000
Si  14.0  -0.00000000   0.00000000   2.96737032  27.97692653   0.00000000   0.00000000   0.00000000
 H   1.0   1.73120733   0.00000000  -1.38808636   1.00782503   0.00000000   0.00000000   0.00000000
 H   1.0   2.34891003   0.00000000   4.44522493   1.00782503   0.00000000   0.00000000   0.00000000
 H   1.0  -2.34891003   0.00000000   4.44522494   1.00782503   0.00000000   0.00000000   0.00000000
 H   1.0  -1.73120733   0.00000000  -1.38808636   1.00782503   0.00000000   0.00000000   0.00000000


Index     1
Atoms
 C   6.0   0.01746117   0.04323992  -0.29257655  12.00000000  -0.00000783  -0.00015157   0.00018934
Si  14.0  -0.02869987  -0.02552331   2.96068284  27.97692653   0.00001812   0.00001963  -0.00006162
 H   1.0   1.74662534  -0.14817296  -1.24171525   1.00782503  -0.00048845   0.00060546  -0.00080092
 H   1.0   2.49707999   0.23744385   4.31752528   1.00782503   0.00031586  -0.00002109  -0.00013905
 H   1.0  -1.99992423   0.19504678   4.51799086   1.00782503  -0.00104129  -0.00004284  -0.00010909
 H   1.0  -1.65498843  -0.09064842  -1.31584227   1.00782503   0.00080397   0.00071832   0.00050512
States
Ekin        0.004326084428 a.u.
Epot_harm   0.026383182355 a.u.
Epot        0.026383182355 a.u.
Etot_harm   0.030709266783 a.u.
Etot        0.030709266783 a.u.


