%nproc=20
%Mem=40000MB
%Chk=IE17_H_xray
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                 8.75530000    8.41210000    4.81970000
 Fe                11.70320000    9.51020000    7.70650000
 Cl                 6.91460000    9.64170000    4.21990000
 P                 10.53720000    7.22730000    5.44810000
 F                  2.40800000    9.07830000    6.25130000
 F                  2.84780000    8.34150000    8.20460000
 F                  3.89500000   10.02980000    7.43910000
 F                  4.68320000    6.98740000    2.54370000
 F                  4.47140000    4.99300000    3.25820000
 F                  6.43490000    5.78350000    2.85520000
 N                  7.16060000    4.70220000    8.35510000
 C                 11.16320000    7.64890000    7.07540000
 C                 10.41080000    8.00750000    8.26050000
 C                 11.37580000    8.24720000    9.28100000
 H                 11.16810000    8.53120000   10.19560000
 C                 12.67920000    8.05720000    8.76690000
 H                 13.51550000    8.17300000    9.26450000
 C                 12.56780000    7.68880000    7.39550000
 H                 13.30870000    7.49420000    6.78430000
 C                 10.68190000   11.28470000    7.59520000
 H                  9.73640000   11.41650000    7.81690000
 C                 11.75410000   11.39460000    8.48690000
 H                 11.68760000   11.62300000    9.43760000
 C                 12.94910000   11.12790000    7.78350000
 H                 13.85400000   11.14070000    8.15960000
 C                 12.61130000   10.85290000    6.43490000
 H                 13.23840000   10.63430000    5.71420000
 C                 11.19400000   10.94530000    6.31820000
 H                 10.66940000   10.80230000    5.50290000
 C                  8.89500000    8.01290000    8.43240000
 H                  8.50230000    8.36220000    7.60530000
 C                  8.47290000    8.94120000    9.57780000
 H                  8.82250000    9.82150000    9.42150000
 H                  8.81720000    8.60280000   10.40750000
 H                  7.51460000    8.98060000    9.62120000
 C                  8.37230000    6.60110000    8.63160000
 C                  8.80380000    5.62560000    9.60120000
 C                  9.74930000    5.61890000   10.64520000
 H                 10.29850000    6.35550000   10.78940000
 C                  9.84890000    4.49630000   11.45590000
 H                 10.45560000    4.49360000   12.16070000
 C                  9.04580000    3.36030000   11.22820000
 H                  9.13710000    2.61760000   11.78050000
 C                  8.12500000    3.33180000   10.19810000
 H                  7.59390000    2.58370000   10.04560000
 C                  8.02340000    4.46050000    9.40150000
 C                  7.36430000    6.00190000    7.90900000
 C                  6.17800000    3.75710000    7.83300000
 H                  5.31050000    4.16810000    7.82690000
 H                  6.15800000    2.97580000    8.39040000
 H                  6.41950000    3.50600000    6.93850000
 C                  6.40580000    6.56740000    6.93040000
 C                  5.45900000    7.50090000    7.37920000
 H                  5.51200000    7.83180000    8.24670000
 C                  4.44530000    7.93340000    6.53830000
 C                  4.36810000    7.48050000    5.23520000
 H                  3.68900000    7.77680000    4.67310000
 C                  5.32010000    6.57490000    4.77440000
 C                  6.32660000    6.10020000    5.61370000
 H                  6.94170000    5.47700000    5.30050000
 C                  3.40480000    8.85000000    7.09760000
 C                 10.16380000    5.44970000    5.51990000
 C                 10.38850000    4.70440000    6.67390000
 H                 10.82210000    5.09210000    7.39960000
 C                  9.96520000    3.37870000    6.74420000
 H                 10.12080000    2.88550000    7.51710000
 C                  5.24720000    6.07900000    3.36480000
 C                  9.32100000    2.79490000    5.68340000
 H                  9.03020000    1.91360000    5.74370000
 C                  9.10290000    3.52070000    4.51770000
 H                  8.67570000    3.11930000    3.79570000
 C                  9.52180000    4.84870000    4.42600000
 H                  9.37650000    5.33240000    3.64510000
 C                 11.98610000    7.38870000    4.35230000
 C                 12.86270000    6.33000000    4.13410000
 H                 12.70080000    5.50370000    4.52890000
 C                 13.98130000    6.50680000    3.32570000
 H                 14.55770000    5.79360000    3.17050000
 C                 14.24020000    7.73980000    2.75100000
 H                 14.99650000    7.85730000    2.22280000
 C                 13.37100000    8.79950000    2.96360000
 H                 13.54480000    9.62750000    2.57740000
 C                 12.24010000    8.62510000    3.75350000
 H                 11.65130000    9.33320000    3.88350000

C H P N Cl F 0
6-31G*
****
Au Fe 0
SDD 
****

Au Fe 0
SDD


