1&FORCE_EVAL
2  METHOD Quickstep
3  &DFT
4    BASIS_SET_FILE_NAME BASIS_SET
5    POTENTIAL_FILE_NAME POTENTIAL
6    &PRINT
7      &MOMENTS
8      &END
9    &END
10    &MGRID
11      CUTOFF 200
12    &END MGRID
13    &QS
14      EPS_DEFAULT 1.0E-8
15    &END QS
16    &SCF
17      EPS_SCF 1.0E-4
18      SCF_GUESS ATOMIC
19    &END SCF
20    &XC
21      &XC_FUNCTIONAL Pade
22      &END XC_FUNCTIONAL
23    &END XC
24  &END DFT
25  &SUBSYS
26    &CELL
27      ABC 4.0 4.0 4.0
28    &END CELL
29    &COORD
30    O   0.000000    0.000000   -0.065587
31    H   0.000000   -0.757136    0.520545
32    H   0.000000    0.757136    0.520545
33    &END COORD
34    &KIND H
35      BASIS_SET DZVP-GTH-PADE
36      POTENTIAL GTH-PADE-q1
37    &END KIND
38    &KIND O
39      BASIS_SET DZVP-GTH-PADE
40      POTENTIAL GTH-PADE-q6
41    &END KIND
42  &END SUBSYS
43&END FORCE_EVAL
44&GLOBAL
45  PROJECT H2O-VIB-MS-INT-2
46  RUN_TYPE NORMAL_MODES
47  PRINT_LEVEL LOW
48&END GLOBAL
49&VIBRATIONAL_ANALYSIS
50   NPROC_REP 4
51   DX 0.001
52   INTENSITIES
53   &PRINT
54     &PROGRAM_RUN_INFO ON
55     &END
56   &END
57   &MODE_SELECTIVE
58      FREQUENCY   3300
59      ATOMS 2 3
60      INITIAL_GUESS ATOMIC
61      EPS_NORM  1.0E-4
62      EPS_MAX_VAL 1.0E-5
63   &END
64&END
65