  This molecular orbital analysis predicts that pure carbon graphene molecules
would play an important role on astronomically observed Diffuse Interstellar
Bands (DIB), rather than fullerene. Laboratory experiments precisely coincided
with observed DIB bands as studied by E. Cambell et al., which were considered
to originate from mono-cation fullerene-(C$_{60}$)$^{1+}$. To check
theoretically a molecular orbital excitation of (C$_{60}$)$^{1+}$ was
calculated by the Time-Dependent DFT. Calculated two bands were close to
observed DIBs, but there were two problems, that the oscillator strength was
zero, and that other three DIBs could not be reproduced. Laboratory experiments
was the mass spectroscopic one filtering m/e=724, to suggest
fullerene-(C$_{60}$)$^{1+}$ combined with He. However, there were other
capabilities, as like He-atom intercalated 3D-graphite,
[graphene(C$_{53}$)$^{1+}$--He--(C$_7$)],
[graphene(C$_{51}$)$^{1+}$--He--(C$_9$)] and so on. A family of graphene
(C$_{53}$), (C$_{52}$) and (C$_{51}$) was calculated. Results show that an
astronomically observed 957.74nm band was reproduced well by calculated
957.74nm, also confirmed by laboratory experiment of 957.75nm. Other observed
963.26, 936.57 and 934.85nm bands were calculated to be 963.08, 935.89 and
933.72nm. Moreover, experimental 922.27nm band was calculated to be 922.02nm,
which is not yet astronomically observed. Similarly, experimental 925.96,
912.80, 909.71 and 908.40nm bands were calculated to 926.01, 912.52, 910.32 and
908.55nm. It should be emphasized that graphene molecules may be ubiquitously
floating in interstellar space.
