# ADC(2) excited state calculation for gt5
export OMP_NUM_THREADS=16
export MKL_NUM_THREADS=16
dft=wB97X-D3
basis=def2-SVP
calc=TDDFT
nsing=5
mem=32GB
qmmm=amber
molden=on
verbosity=3
tprint=0.1
theodore=on

geom=xyz
12

N -0.00843 0.  0.00345
C -0.00843 0.  1.36837
H  0.96797 0.  1.82848
C -1.15374 0.  2.07859
H -1.14732 0.  3.15565
C -2.41612 0.  1.38704
O -3.52909 0.  1.91405
N -2.31288 0. -0.00521
H -3.17891 0. -0.53029
C -1.15755 0. -0.74830
O -1.15215 0. -1.97411
H  0.86442 0. -0.50512

pointcharges
1
1. 1. 1. 0.0