%mem=16GB %nprocshared=8 # opt freq=noraman mn15/gen pseudo=read temperature=353 conformer search 0 1 C 0.50343400 4.13024400 -1.13914800 C -1.80895000 3.82772500 -0.74286100 C -2.10469900 5.06596200 -1.30471400 C -1.04194200 5.84169700 -1.78624200 C 0.27856800 5.38103300 -1.70679300 H -3.14717300 5.38528600 -1.34802000 H -1.24603800 6.81890900 -2.22959100 H 1.13539400 5.95162000 -2.06867500 N -0.53745100 3.42598700 -0.69022000 C 1.85138900 3.44548200 -0.97841300 C -2.80692700 2.84207800 -0.16135200 O -4.00662500 3.08527800 -0.19542100 O 2.87609200 4.00487400 -1.34028400 N 1.71406700 2.20519000 -0.43694900 N -2.18525000 1.74926200 0.35403000 C -2.91407600 0.67617800 0.91304400 C -3.38934000 -0.69223800 2.86052400 C -4.34044700 -1.26821500 0.70142800 H -3.26190900 -0.90050400 3.92477200 C 2.84304100 1.38298300 -0.21581100 C 2.99958100 0.18788300 -0.95296700 C 4.79610000 0.85647600 1.12465800 C 4.07320100 -0.67059700 -0.62128500 H 5.49331700 1.11586600 1.92402200 Pd -0.17568400 1.70974900 0.12057200 C -4.19224700 -1.51589900 2.07403700 H -4.69713100 -2.38019500 2.51307000 C 4.94694200 -0.33847800 0.42548600 H 5.77370900 -1.01135700 0.66546000 C -5.18702200 -2.21809700 -0.07568000 C -6.55699200 -2.32492100 0.19203700 C -4.63994200 -3.07609600 -1.05548500 C -7.36061600 -3.23355900 -0.49771600 H -6.99056600 -1.66977600 0.95116900 C -5.44700000 -3.98899900 -1.75270200 C -6.80873600 -4.06536500 -1.47481700 H -8.42786400 -3.28995800 -0.27277200 H -7.43714200 -4.77453800 -2.01653700 C -3.70558800 -0.16254700 0.09786400 C 3.75319500 1.71623500 0.79510500 H 3.60480800 2.65584000 1.33182000 C -2.74911900 0.39594600 2.27545900 H -2.09765400 1.05306300 2.85854000 C 4.36128600 -1.89917500 -1.41316400 C 4.51568900 -1.81705900 -2.80566900 C 4.55424400 -3.16488400 -0.81475100 C 4.83345900 -2.93351900 -3.57548800 H 4.40137800 -0.84223400 -3.28353200 C 4.87491900 -4.29289800 -1.59166300 C 5.01136100 -4.18042100 -2.97017800 H 4.95138600 -2.82795600 -4.65606200 H 5.26006900 -5.05818700 -3.56922800 C 4.42587600 -3.36065600 0.60631500 C -3.22810100 -3.03175600 -1.33290100 N 4.33666700 -3.59063000 1.74154300 N -2.09060800 -3.00970100 -1.56597300 N 0.25763500 -0.10632400 0.94841300 C 1.06054400 -0.20688000 2.05761800 C -0.09266000 -1.19333700 0.28025300 C 1.34177800 0.94219100 2.83967200 C 1.61149300 -1.46326000 2.43156200 C 0.37909300 -2.48037600 0.61405700 H -0.76510100 -1.05847100 -0.57274000 C 2.16462200 0.83917100 3.93842800 H 0.89679200 1.89589600 2.54143400 C 2.48653600 -1.52997800 3.54960100 C 1.24958500 -2.60729700 1.67163500 H 0.04411700 -3.32636700 0.01397400 C 2.75571300 -0.40067200 4.28827700 H 2.37523500 1.72570900 4.54052600 H 2.94109800 -2.49187500 3.79441000 H 1.66870300 -3.57621700 1.95091200 H 3.42436000 -0.45630300 5.14950300 C -3.82936300 0.16067900 -1.36429100 H -4.31153800 1.14234400 -1.48518900 H -2.82942100 0.22972300 -1.82613500 H -4.41695800 -0.58364900 -1.91516000 C 2.02963000 -0.12912900 -2.06198900 H 1.92021900 -1.21136400 -2.21768300 H 1.04105100 0.30056000 -1.84546100 H 2.35277600 0.31663200 -3.01704700 F -4.88503548 -4.79121180 -2.68176094 F 5.04441301 -5.48269264 -0.97671544 C H O N F 0 def2svp **** Pd 0 S 2 1.00 18.000000000 -0.16605388598 14.662134308 0.34899955055 S 1 1.00 5.6388709265 1.0000000 S 1 1.00 1.3198953252 1.0000000 S 1 1.00 0.57817908509 1.0000000 S 1 1.00 0.10352166239 1.0000000 S 1 1.00 0.37548442674D-01 1.0000000 P 4 1.00 12.552899300 0.61728998206D-01 7.2444496380 -0.24178626753 1.8905941078 0.49453200915 0.90737168760 0.50454362626 P 1 1.00 0.40877210813 1.0000000 P 1 1.00 0.11500000000 1.0000000 P 1 1.00 0.37000000000D-01 1.0000000 D 4 1.00 22.357457575 0.39559479546D-02 10.682526382 -0.14039011601D-01 2.4858232550 0.24219476776 1.0735333903 0.42580283281 D 1 1.00 0.42613842853 1.0000000 D 1 1.00 0.15046355385 1.0000000 F 1 1.00 2.2424600 1.0000000 F 1 1.00 0.6357500 1.0000000 G 1 1.00 1.3777000 1.0000000 **** PD 0 PD-ECP 3 28 f potential 2 2 13.2700000 -31.92955431 2 6.6300000 -5.39821694 s-f potential 4 2 12.4300000 240.22904033 2 6.1707594 35.17194347 2 13.2700000 31.92955431 2 6.6300000 5.39821694 p-f potential 4 2 11.0800000 170.41727605 2 5.8295541 28.47213287 2 13.2700000 31.92955431 2 6.6300000 5.39821694 d-f potential 4 2 9.5100000 69.01384488 2 4.1397811 11.75086158 2 13.2700000 31.92955431 2 6.6300000 5.39821694