%nprocshared=24
%mem=41GB
#p b3lyp opt freq genecp empiricaldispersion=gd3 nosymm scf=(maxcyc=512,xqc) int(grid=fine)

Opt freq

0 3
 N                 -1.68232800    1.28475600   -0.22194400
 N                  1.10811500    1.51456100   -0.28174300
 N                  1.32250100   -1.31500600   -0.39177400
 N                 -1.44907100   -1.53415700    0.01168800
 C                 -3.02868100    0.96586500   -0.27333200
 C                 -3.80114200    2.10776600   -0.64867200
 C                 -2.92634100    3.16805300   -0.74424800
 C                 -1.62384000    2.66932300   -0.44997200
 C                 -0.45674600    3.44095600   -0.33200100
 C                  0.81218800    2.88447200   -0.17297300
 C                  2.01506100    3.62380000    0.07046000
 C                  3.05336200    2.73125900    0.05357000
 C                  2.48834300    1.43694900   -0.22246400
 C                  3.23028600    0.26180200   -0.38402200
 C                  2.65921100   -1.01225800   -0.59348300
 C                  3.39857200   -2.19694800   -0.90286400
 C                  2.51664600   -3.25403900   -0.82982000
 C                  1.23874800   -2.71397800   -0.50545300
 C                  0.09150100   -3.46599600   -0.21304900
 C                 -1.14749100   -2.90488800    0.08627500
 C                 -2.32699900   -3.64719800    0.41655000
 C                 -3.35334300   -2.74977300    0.54174700
 C                 -2.81344500   -1.45216000    0.23452500
 C                 -3.56586300   -0.27244000    0.14217000
 H                 -4.87088700    2.10934800   -0.81508500
 H                 -3.15190000    4.18960600   -1.01755200
 H                  2.06953300    4.69247900    0.22393500
 H                  4.10807200    2.94217200    0.17286800
 H                  4.44889500   -2.22552100   -1.16466000
 H                  2.72991500   -4.30081100   -0.99540400
 H                 -2.37558600   -4.72248700    0.51654900
 H                 -4.39339000   -2.95711500    0.75914400
 Fe                -0.17405100   -0.01276400   -0.21071500
 C                 -5.01841600   -0.30122300    0.43681600
 C                 -5.62601000    0.27421200    1.58509000
 C                 -5.89071500   -0.87211100   -0.51036200
 C                 -7.01877200    0.38248500    1.68561900
 C                 -7.27471200   -0.80287000   -0.40022600
 H                 -5.42816100   -1.33814900   -1.37454700
 C                 -7.84199500   -0.14158800    0.69050400
 H                 -7.50067800    0.86554200    2.52456300
 H                 -7.90645400   -1.22937100   -1.17426900
 H                 -8.91892300   -0.03794900    0.78251300
 C                  4.69390900    0.31775100   -0.18886400
 C                  5.49771400    0.88487900   -1.20014500
 C                  5.38204100   -0.22032800    0.92580400
 C                  6.88493100    0.82463900   -1.18418100
 H                  4.97405300    1.33389500   -2.03804200
 C                  6.77939200   -0.34883800    0.91733900
 C                  7.53081600    0.16594900   -0.13324600
 H                  7.45927300    1.24603700   -2.00427200
 H                  7.30894900   -0.85407200    1.71715600
 H                  8.61079000    0.05399000   -0.12385600
 C                 -0.58772300    4.92428200   -0.36107200
 C                  0.11937900    5.69263500   -1.29948100
 C                 -1.41927100    5.59873000    0.54896200
 C                  0.01331800    7.08679000   -1.33707200
 H                  0.76431200    5.18185000   -2.00898000
 C                 -1.53418600    6.98854000    0.52172400
 H                 -1.97528800    5.01567700    1.27709300
 C                 -0.81861200    7.73479900   -0.41483900
 H                 -2.17883500    7.49343000    1.23727500
 H                 -0.90046000    8.81909100   -0.43246400
 C                  0.21768000   -4.95320400   -0.21023000
 C                  0.11301700   -5.68817800    0.98068700
 C                  0.45319900   -5.65265000   -1.40247200
 C                  0.23676500   -7.07872600    0.97517300
 H                 -0.07389300   -5.15612600    1.90930900
 C                  0.58436400   -7.04529800   -1.42086100
 H                  0.53960500   -5.08987200   -2.32819600
 C                  0.47660800   -7.75768500   -0.21907000
 H                  0.15071900   -7.63445500    1.90584900
 H                  0.58318500   -8.83996100   -0.22420600
 C                 -5.62873700    1.09418900    3.96447700
 H                 -6.19023600    1.99860100    3.73079200
 H                 -6.30164800    0.27518000    4.21566900
 H                 -4.96109000    1.28985100    4.80387500
 C                 -3.87758400    1.90417600    2.49800200
 H                 -3.03466200    1.58511800    1.89207400
 H                 -4.45001600    2.64750700    1.94680200
 H                 -3.53789800    2.29747100    3.45884200
 C                 -3.91400300   -0.45745800    3.23620500
 H                 -4.57467800   -1.28249300    3.50359600
 H                 -3.26408600   -0.74897900    2.41433400
 H                 -3.32998400   -0.12917200    4.09885200
 C                  3.25071200   -0.19055200    2.38855200
 H                  3.24690600    0.88662000    2.22791000
 H                  2.56515400   -0.67164200    1.69730300
 H                  2.98153500   -0.43322100    3.41887500
 C                  5.43382900   -0.24533800    3.40623000
 H                  6.42699200   -0.68443000    3.43224400
 H                  5.50563700    0.84179100    3.36353700
 H                  4.88518100   -0.55829700    4.29546700
 C                  4.61648500   -2.22837900    2.18703100
 H                  4.05822500   -2.54597300    1.30245200
 H                  5.63694500   -2.61170700    2.14869700
 H                  4.11916000   -2.55880400    3.10218000
 N                 -4.77717500    0.70916100    2.78414800
 N                  4.67089300   -0.71625000    2.18780800
 C                  0.86498500   -7.76549300   -2.71436100
 H                  0.37744400   -8.74463000   -2.73279800
 H                  0.51600400   -7.18035500   -3.56929600
 S                  2.70252300   -8.02015200   -2.88154500
 H                  2.67136900   -8.64223300   -4.08273400
 C                  0.80679900    7.88194800   -2.34141600
 H                  1.04670500    7.27378300   -3.21756200
 H                  0.25408800    8.76826800   -2.66642200
 S                  2.40021700    8.43880600   -1.55363200
 H                  2.89605000    9.08724100   -2.63285800

-C -H -N -S -O 0
6-31G(d)
****
Fe 0
LanL2DZ
****

Fe
LanL2DZ



