gprint,basis
r=1.85,theta=104          !set geometry parameters
geometry={O;              !z-matrix geometry input
          H1,O,r;
          H2,O,r,H1,theta}
!use VTZ basis, explicitly give exponents and contraction coefficients
basis={
s,1,15330.000000,2299.000000,522.400000,147.300000,47.550000,16.760000,6.207000,1.752000,0.688200,0.238400;
c,1.10,0.000508,0.003929,0.020243,0.079181,0.230687,0.433118,0.350260,0.042728,-0.008154,0.002381;
c,1.10,-0.000115,-0.000895,-0.004636,-0.018724,-0.058463,-0.136463,-0.175740, 0.160934, 0.603418, 0.378765;
c,8.8,1.0
c,10.10,1.0
p,1,34.460000,7.749000,2.280000,0.715600,0.214000
c,1.5,0.015928,0.099740,0.310492,0.491026,0.336337   
c,4.4,1.0
c,5.5,1.0
d,1,2.314000,0.645000
f,1,1.428000

s,2,33.870000,5.095000,1.159000,0.325800,0.102700
c,1.5,0.006068,0.045308,0.202822,0.503903,0.383421
c,4.4,1.0
c,5.5,1.0
p,2,1.407000,0.388000
d,2,1.057000

s,3,33.870000,5.095000,1.159000,0.325800,0.102700
c,1.5,0.006068,0.045308,0.202822,0.503903,0.383421
c,4.4,1.0
c,5.5,1.0
p,3,1.407000,0.388000
d,3,1.057000
}
hf                        !closed-shell scf