! Freq RIJCOSX PBEh-3c
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 8
end
*xyz 1 1
F   -0.18255694  -2.39142589  -0.56920752 
C   -0.08986106  -1.13032604  -0.26046204 
N   -1.18518974  -0.41162434  -0.38484118 
C   -2.23200971  -0.83119094  -1.27497403 
C   -1.94975452  -1.02519653  -2.61838272 
C   -2.96884531  -1.41483695  -3.47272963 
C   -4.25471867  -1.59169413  -2.98484087 
C   -4.52572523  -1.37821740  -1.64032265 
C   -3.51371762  -0.99708206  -0.77513665 
C   -1.37632047   0.77906365   0.39327309 
C   -1.41943333   0.67382155   1.77484768 
C   -1.61216349   1.81748641   2.53359032 
C   -1.76473180   3.04593835   1.90872964 
C   -1.73560417   3.13308068   0.52341750 
C   -1.54571070   1.99680940  -0.24410387 
N    1.08843440  -0.70480148   0.13971655 
C    2.06427407  -1.62186317   0.66142070 
C    1.74990867  -2.41186331   1.75639532 
C    2.70879051  -3.27572925   2.26158501 
C    3.96847336  -3.33205362   1.68469578 
C    4.27350088  -2.52447718   0.59781587 
C    3.32051448  -1.66504256   0.07735731 
C    1.45150421   0.67743806   0.00377470 
C    1.51835222   1.22813745  -1.26663646 
C    1.87831482   2.55905662  -1.40678849 
C    2.17196821   3.31954253  -0.28491193 
C    2.11913640   2.74856992   0.97956288 
C    1.76314516   1.41920233   1.13097883 
H   -0.95056072  -0.86466184  -3.00487632 
H   -2.75770717  -1.57141069  -4.52136034 
H   -5.04912410  -1.89118378  -3.65426287 
H   -5.52903243  -1.51294275  -1.26088394 
H   -3.72003889  -0.82699166   0.27334708 
H   -1.31390495  -0.29055087   2.25697632 
H   -1.65416497   1.74484921   3.61163947 
H   -1.91815478   3.93704695   2.50180465 
H   -1.86203224   4.09035982   0.03730035 
H   -1.52303616   2.05773686  -1.32381948 
H    0.77526528  -2.35139638   2.22505343 
H    2.47197439  -3.89744362   3.11368355 
H    4.71602447  -4.00234702   2.08582760 
H    5.25633569  -2.56487565   0.14929136 
H    3.55668959  -1.03299424  -0.76862756 
H    1.30426582   0.62507229  -2.14081882 
H    1.94021859   2.99697160  -2.39347666 
H    2.45483078   4.35733107  -0.39602996 
H    2.35831564   3.33961407   1.85253941 
H    1.72356149   0.96699456   2.11286954 
*