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      CORE_HAMILTONIAN
17      DENSITY
18      DERIVATIVES
19      KINETIC_ENERGY
20      KOHN_SHAM_MATRIX
21      # MATRIX_VXC
22      NDIGITS 12
23      ORTHO
24      OVERLAP
25      POTENTIAL_ENERGY
26     &END AO_MATRICES
27    &END PRINT
28    &QS
29      EPS_DEFAULT 1.0E-8
30    &END QS
31    &SCF
32      MAX_SCF 1
33      SCF_GUESS ATOMIC
34    &END SCF
35    &XC
36      &XC_FUNCTIONAL Pade
37      &END XC_FUNCTIONAL
38    &END XC
39  &END DFT
40  &SUBSYS
41    &CELL
42      ABC 5.0 5.0 5.0
43    &END CELL
44    &COORD
45    Hx  3.0 0.0 0.0
46    Hx  3.0 1.0 0.0
47    O   0.000000    0.000000   -0.065587
48    H   0.000000   -0.757136    0.520545
49    H   0.000000    0.757136    0.520545
50    &END COORD
51    &KIND Hx
52      ELEMENT H
53      BASIS_SET NONE
54      POTENTIAL GTH-PADE-q1
55    &END KIND
56    &KIND H
57      BASIS_SET DZV-GTH-PADE
58      POTENTIAL GTH-PADE-q1
59    &END KIND
60    &KIND O
61      BASIS_SET DZVP-GTH-PADE
62      POTENTIAL GTH-PADE-q6
63    &END KIND
64  &END SUBSYS
65&END FORCE_EVAL
66