12 
methylacetamide molec-a optimized by B3LYPp2p, SG=m
  C         0.00000000     0.00000000     0.00000000
  O         0.00000000     1.22459500     0.00000000
  N         1.14767518    -0.74653715     0.00000000
  H         1.07205595    -1.75271108     0.00000000
  C        -1.29520607    -0.80088565     0.00000000
  H        -1.88100607    -0.52213710    -0.88129700
  H        -1.14885464    -1.88598602     0.00000000
  H        -1.88100607    -0.52213710     0.88129700
  C         2.46924229    -0.14754149     0.00000000
  H         3.03864885    -0.43702242    -0.89153600
  H         2.33139952     0.93460149     0.00000000
  H         3.03864885    -0.43702242     0.89153600
