optical spectra Si25BC7N8O31H31 B(N-C-Si)(NH)2, from job 1773
    1.0
            10.00000000 0.00000000 0.00000000 
            0.00000000 10.00000000 0.00000000 
            0.00000000 0.00000000 10.00000000 
  O
  2
Direct
        0.50000000 0.50000000 0.43829600      	#	1      	O
        0.50000000 0.50000000 0.56170400      	#	2      	O