%mem=500MB
%nproc=1
%chk=/work/callan/butadiene/tutorialfiles/butadiene.chk
#P HF/sto-3g opt

butadiene HF optimisation

0 1
 C                 -6.94420227   -0.24159110   -0.01769523
 C                 -8.48374435   -0.27909154   -0.01967172
 C                 -9.13256873   -1.46887522   -0.01671371
 C                 -6.29537789    0.94819259   -0.02064929
 H                 -9.04114601    0.63424829   -0.02338027
 H                -10.20225056   -1.49493072   -0.01808714
 H                 -6.85277955    1.86153243   -0.02435495
 H                 -8.57516707   -2.38221504   -0.01300425
 H                 -6.38680060   -1.15493093   -0.01398804
 H                 -5.22569606    0.97424809   -0.01927487