! Freq RIJCOSX PBEh-3c
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 16
end
*xyz 2 1
P    1.90233790   0.26067294  -1.13148061 
S   -0.03056916   0.93155024   0.98991480 
P   -1.79817070   0.42491729   0.48810693 
C   -2.11323612  -1.04325857  -0.39457056 
C   -3.18703847  -1.10874059  -1.30143978 
C   -3.39672674  -2.27341326  -2.00999345 
C   -2.56078544  -3.36846926  -1.81228871 
C   -1.49196541  -3.30085837  -0.92240138 
C   -1.25011752  -2.13906428  -0.22057653 
C   -3.17166112   1.40103230   0.90511886 
C   -2.98158611   2.76719127   1.18681451 
C   -4.06079244   3.52900762   1.57506415 
C   -5.31608207   2.93850448   1.71014202 
C   -5.50330489   1.58193971   1.45749478 
C   -4.44057591   0.80377005   1.05234311 
C    3.00097492   1.49296807  -0.54423279 
C    2.56715948   2.82149229  -0.76243389 
C    3.36928594   3.88408085  -0.41215758 
C    4.63420128   3.64284285   0.11864484 
C    5.10084146   2.34094495   0.29288296 
C    4.29686414   1.27025390  -0.03013086 
C    2.41785581  -1.29503653  -0.48017782 
C    2.99828403  -1.51076506   0.78378699 
C    3.33805779  -2.78798801   1.17537972 
C    3.12447706  -3.86265701   0.31269721 
C    2.53555934  -3.66838679  -0.93080459 
C    2.15422335  -2.39701986  -1.31653190 
H   -3.82925851  -0.25451404  -1.47264748 
H   -4.20990764  -2.33188555  -2.71983396 
H   -2.74391407  -4.28367522  -2.35944701 
H   -0.85505998  -4.16115443  -0.77182034 
H   -0.42542080  -2.08968817   0.47907276 
H   -2.00350115   3.21939681   1.08996249 
H   -3.93235068   4.58271555   1.77855769 
H   -6.15723794   3.54191143   2.02466856 
H   -6.47811269   1.13423608   1.59053688 
H   -4.58351101  -0.25587693   0.88787046 
H    1.59700948   3.00745298  -1.20875095 
H    3.03105072   4.89863678  -0.56906092 
H    5.27359204   4.47708107   0.37556412 
H    6.10128079   2.17216939   0.66606952 
H    4.68563704   0.26640194   0.06593826 
H    3.15043436  -0.68563895   1.46734412 
H    3.77246099  -2.95692535   2.15104942 
H    3.41181011  -4.85941218   0.62034526 
H    2.37687847  -4.50745061  -1.59418297 
H    1.68061006  -2.24909187  -2.28040628 
*