1&GLOBAL
2  PROJECT H2O-none
3  RUN_TYPE ENERGY
4  PRINT_LEVEL LOW
5&END GLOBAL
6&FORCE_EVAL
7  METHOD QS
8  &DFT
9    BASIS_SET_FILE_NAME BASIS_SET
10    POTENTIAL_FILE_NAME POTENTIAL
11    &MGRID
12      CUTOFF 200
13    &END MGRID
14    &PRINT
15     &AO_MATRICES
16      OMIT_HEADERS
17      CORE_HAMILTONIAN
18      DENSITY
19      DERIVATIVES
20      KINETIC_ENERGY
21      KOHN_SHAM_MATRIX
22      # MATRIX_VXC
23      NDIGITS 12
24      ORTHO
25      OVERLAP
26      POTENTIAL_ENERGY
27     &END AO_MATRICES
28    &END PRINT
29    &QS
30      EPS_DEFAULT 1.0E-8
31    &END QS
32    &SCF
33      MAX_SCF 1
34      SCF_GUESS ATOMIC
35    &END SCF
36    &XC
37      &XC_FUNCTIONAL Pade
38      &END XC_FUNCTIONAL
39    &END XC
40  &END DFT
41  &SUBSYS
42    &CELL
43      ABC 5.0 5.0 5.0
44    &END CELL
45    &COORD
46    Hx  3.0 0.0 0.0
47    Hx  3.0 1.0 0.0
48    O   0.000000    0.000000   -0.065587
49    H   0.000000   -0.757136    0.520545
50    H   0.000000    0.757136    0.520545
51    &END COORD
52    &KIND Hx
53      ELEMENT H
54      BASIS_SET NONE
55      POTENTIAL GTH-PADE-q1
56    &END KIND
57    &KIND H
58      BASIS_SET DZV-GTH-PADE
59      POTENTIAL GTH-PADE-q1
60    &END KIND
61    &KIND O
62      BASIS_SET DZVP-GTH-PADE
63      POTENTIAL GTH-PADE-q6
64    &END KIND
65  &END SUBSYS
66&END FORCE_EVAL
67