WARNING : Found 56 linear dependencies
S eigenvalue threshold: 1.00000E-05
Smallest S eigenvalue : 5.55602E-08
Largest S eigenvalue : 9.23222E-06
!! The overlap matrix has 56 vectors deemed linearly dependent with
eigenvalues:
5.56D-08 9.92D-08 1.14D-07 1.40D-07 1.55D-07 1.69D-07 1.88D-07 2.22D-07
2.59D-07 2.71D-07 3.01D-07 3.68D-07 4.35D-07 4.64D-07 4.69D-07 5.36D-07
6.02D-07 6.13D-07 6.83D-07 7.86D-07 8.69D-07 9.70D-07 1.07D-06 1.11D-06
1.18D-06 1.21D-06 1.53D-06 1.55D-06 1.67D-06 1.69D-06 1.83D-06 1.97D-06
2.13D-06 2.37D-06 2.67D-06 2.78D-06 2.93D-06 3.02D-06 3.13D-06 3.31D-06
3.43D-06 3.70D-06 3.88D-06 4.05D-06 4.38D-06 4.93D-06 5.45D-06 5.62D-06
6.17D-06 6.23D-06 6.81D-06 7.01D-06 7.21D-06 8.10D-06 8.50D-06 9.23D-06
Superposition of Atomic Density Guess
-------------------------------------
Sum of atomic energies: -3812.93982290
Non-variational initial energy
------------------------------
Total energy = -3875.685546
1-e energy = -38099.241022
2-e energy = 17714.439976
HOMO = -0.298597
LUMO = -0.033085
Time after variat. SCF: 12836.0
Time prior to 1st pass: 12836.0
Grid_pts file = ./molecule.gridpts.0
Record size in doubles = 12289 No. of grid_pts per rec = 3070
Max. records in memory = 148 Max. recs in file = 126656358
Grid integrated density: 606.880615832235
Requested integration accuracy: 0.10E-05
5: WARNING:armci_set_mem_offset: offset changed -335503183872 to -335507378176
diis_driver: error creating ga 0
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