FIELD=(0.3,0,0) RELSCF=100 SHIFT=5 UHF TRIPLET PM7 Chromium, dimer H=148 HR=MDM86 Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cr 2.76836863 +1 0.0000000 +0 0.0000000 +0 1 0 0