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      MAP_CONSISTENT FALSE
16    &END QS
17    &SCF
18      EPS_SCF 1.0E-4
19      SCF_GUESS ATOMIC
20    &END SCF
21    &XC
22      &XC_FUNCTIONAL Pade
23      &END XC_FUNCTIONAL
24    &END XC
25  &END DFT
26  &SUBSYS
27    &CELL
28      ABC 4.0 4.0 4.0
29    &END CELL
30    &COORD
31    O   0.000000    0.000000   -0.065587
32    H   0.000000   -0.757136    0.520545
33    H   0.000000    0.757136    0.520545
34    &END COORD
35    &KIND H
36      BASIS_SET DZVP-GTH-PADE
37      POTENTIAL GTH-PADE-q1
38    &END KIND
39    &KIND O
40      BASIS_SET DZVP-GTH-PADE
41      POTENTIAL GTH-PADE-q6
42    &END KIND
43  &END SUBSYS
44&END FORCE_EVAL
45&GLOBAL
46  PROJECT H2O-VIB-MS-INT-1
47  RUN_TYPE NORMAL_MODES
48  PRINT_LEVEL LOW
49&END GLOBAL
50&VIBRATIONAL_ANALYSIS
51   NPROC_REP 4
52   DX 0.001
53   INTENSITIES
54   &PRINT
55     &PROGRAM_RUN_INFO ON
56     &END
57   &END
58   &MODE_SELECTIVE
59      LOWEST_FREQUENCY 0.0
60      FREQUENCY   3300
61      ATOMS 2 3
62      INITIAL_GUESS ATOMIC
63      EPS_NORM  1.0E-4
64      EPS_MAX_VAL 1.0E-5
65   &END
66&END
67