TITLE CH3F ANGSTROM ATOMS C 6 0.000 0.000 0.000 LIBRARY C8S6P3D END F 9 1.401 0.000 0.000 LIBRARY F8S6P3D END H1 1 -0.351 1.040 0.000 LIBRARY H6S3P END H2 1 -0.351 -0.520 -0.901 LIBRARY H6S3P END H3 1 -0.351 -0.520 0.901 LIBRARY H6S3P END END DFT KOHNSHAM EM LEGENDRE VFOCK OFF MOBASIS OFF functional QUAD 1 END SHIELD PRINT TENSORS START FINISH