%chk=D:\git\RAU_MasterStudy\thesis\water_non_optimized.chk
# hf/3-21g geom=connectivity

Title Card Required

0 1
 O(PDBName=O,ResName=,ResNum=0)                        0.43100000    0.58300000   -0.00600000
 H(PDBName=H,ResName=,ResNum=0)                        1.28300000    1.02700000   -0.00600000
 H(PDBName=H,ResName=,ResNum=0)                       -0.27100000    1.23800000   -0.00600000

 1 2 1.0 3 1.0
 2
 3