mrsf(nstate=70)/bhhlyp/6-31g* energy(S0) tdhf(ixcore=1)
geom="""
C      0.000000     0.000000    -0.526342
O      0.000000     0.000000     0.676110
H      0.000000     0.937620    -1.119884
H      0.000000    -0.937620    -1.119884
"""