1CalculationMode = gs
2
3%Coordinates
4 'N' | -2.312181 | -0.264140 | -0.340853
5 'H' | -1.314189 |  1.379934 | -0.212905
6 'H' | -4.090428 |  0.111958 | -0.982535
7 'H' | -2.417661 | -1.088728 |  1.398183
8 'O' |  3.141357 | -0.251053 | -0.217057
9 'H' |  4.090428 |  1.312429 | -0.095380
10 'H' |  3.972389 | -1.379934 | -1.398183
11%
12
13LCAOAlternative = yes
14
15FromScratch = yes
16
17VDWCorrection = vdw_ts
18
19ExperimentalFeatures = yes
20
21MixField = density
22StatesPack = yes
23