%nprocshared=24
%mem=120GB
#p bmk/genecp nosymm
empiricaldispersion=gd3

tscinsn2_tol_SP_new

0 1
 Au	-0.573196000	 1.572670000	 1.057891000
 P	 1.597672000	 0.822254000	 0.387304000
 C	 2.073210000	 1.319055000	-1.310837000
 H	 1.929251000	 2.395841000	-1.437149000
 H	 3.120744000	 1.066977000	-1.505225000
 H	 1.447140000	 0.778106000	-2.028506000
 C	 2.923064000	 1.488291000	 1.469855000
 H	 2.749371000	 1.166911000	 2.500927000
 H	 3.906563000	 1.135545000	 1.143239000
 H	 2.905146000	 2.581743000	 1.441890000
 C	 1.838303000	-0.993396000	 0.410274000
 H	 2.883097000	-1.242832000	 0.198931000
 H	 1.559708000	-1.394804000	 1.388623000
 H	 1.209628000	-1.445092000	-0.364470000
 C	-1.585838000	 0.668846000	-1.125861000
 H	-1.232860000	 1.576038000	-1.606635000
 H	-0.906893000	-0.176785000	-1.120214000
 C	-2.960845000	 0.463125000	-0.942732000
 C	-3.445755000	-0.786917000	-0.628754000
 H	-2.724274000	-1.602657000	-0.600939000
 H	-3.632240000	 1.309645000	-1.040136000
 C	-2.382197000	 2.309009000	 1.740807000
 C	-2.585775000	 3.695408000	 1.886572000
 C	-3.441938000	 1.457901000	 2.106801000
 C	-3.791224000	 4.205983000	 2.382051000
 H	-1.797358000	 4.392648000	 1.612077000
 C	-4.644706000	 1.960720000	 2.610636000
 H	-3.340378000	 0.382730000	 1.978246000
 C	-4.823846000	 3.340504000	 2.746583000
 H	-3.921364000	 5.281021000	 2.481383000
 H	-5.443544000	 1.276638000	 2.886128000
 H	-5.760834000	 3.736079000	 3.129483000
 Br	-0.036707000	-1.514606000	-3.064040000
 C	-4.815675000	-1.138797000	-0.359304000
 C	-5.153708000	-2.507043000	-0.242641000
 C	-5.831140000	-0.168681000	-0.177367000
 C	-6.461248000	-2.894172000	 0.026228000
 H	-4.378493000	-3.256343000	-0.377186000
 C	-7.132670000	-0.562051000	 0.100798000
 H	-5.588739000	 0.886879000	-0.226238000
 C	-7.452669000	-1.922941000	 0.197970000
 H	-6.710375000	-3.947842000	 0.104412000
 H	-7.903797000	 0.188331000	 0.245764000
 H	-8.474088000	-2.223550000	 0.412443000

-H     0
S    3   1.00
34.0613410              0.60251978D-02
5.1235746              0.45021094D-01
1.1646626              0.20189726
S    1   1.00
0.32723041             1.0000000
S    1   1.00
0.10307241             1.0000000
P    1   1.00
0.8000000              1.0000000
****
-C     0
S    6   1.00
13575.3496820              0.22245814352D-03
2035.2333680              0.17232738252D-02
463.22562359             0.89255715314D-02
131.20019598             0.35727984502D-01
42.853015891            0.11076259931
15.584185766            0.24295627626
S    2   1.00
6.2067138508           0.41440263448
2.5764896527           0.23744968655
S    1   1.00
0.57696339419          1.0000000
S    1   1.00
0.22972831358          1.0000000
S    1   1.00
0.95164440028D-01      1.0000000
P    4   1.00
34.697232244            0.53333657805D-02
7.9582622826           0.35864109092D-01
2.3780826883           0.14215873329
0.81433208183          0.34270471845
P    1   1.00
0.28887547253           .46445822433
P    1   1.00
0.10056823671           .24955789874
D    1   1.00
1.09700000             1.0000000
D    1   1.00
0.31800000             1.0000000
F    1   1.00
0.76100000             1.0000000
****
-P     0
S    7   1.00
52426.9992330              0.55207164100D-03
7863.2660552              0.42678595308D-02
1789.5227333              0.21931529186D-01
506.27300165             0.85667168373D-01
164.60698546             0.24840686605
58.391918722            0.46336753971
21.643663201            0.35350558156
S    3   1.00
99.013837620            0.21895679958D-01
30.550439817            0.95650470295D-01
5.4537087661          -0.29454270186
S    2   1.00
2.6503362563           1.3294381200
1.2726688867           0.66109396473
S    1   1.00
0.31645005203          1.0000000
S    1   1.00
0.11417466938          1.0000000
P    5   1.00
472.27219248             0.25710623052D-02
111.58882756             0.20250297999D-01
35.445936418            0.91580716787D-01
12.990776875            0.25749454014
5.0486221658           0.42862899758
P    1   1.00
1.9934049566            .34359817849
P    1   1.00
0.66527284430          1.0000000
P    1   1.00
0.25516832128          1.0000000
P    1   1.00
0.90357762251D-01      1.0000000
D    2   1.00
3.12000000             0.20000000
0.648000000            1.00000000
D    1   1.00
0.218000000            1.0000000
F    1   1.00
0.452000000            1.0000000
****
-Br     0
S    8   1.00
565073.2525600              0.23660314690D-03
84701.7231790              0.18348332508D-02
19276.2719000              0.95465849860D-02
5456.4284576              0.38877142153D-01
1776.9503500              0.12718314231
639.19398276             0.30437662191
248.78823961             0.44490940497
98.678305494            0.24381643058
S    4   1.00
606.07824568            -0.26527158709D-01
188.45598484            -0.12484584809
31.497144506            0.56468683559
13.736008320            0.55555268564
S    2   1.00
21.203212766           -0.24940920493
3.7616420178           0.71213119743
S    1   1.00
1.7735933962           1.0000000
S    1   1.00
0.45197413664          1.0000000
S    1   1.00
0.16613377099          1.0000000
P    6   1.00
3019.6955723              0.24971049798D-02
715.35481126             0.20419267596D-01
229.98328751             0.96897148309D-01
86.167844615            0.28053901252
34.667870802            0.44606390473
14.113870307            0.24410073923
P    4   1.00
57.085653082           -0.21855950710D-01
8.8193845840           0.32707075320
3.9340302872           0.57855229520
1.7998830384           0.33570987698
P    1   1.00
0.66899410512          1.0000000
P    1   1.00
0.27136238231          1.0000000
P    1   1.00
0.10083790243          1.0000000
D    5   1.00
168.85370257             0.89663981988D-02
49.977949919            0.62062059316D-01
18.274913338            0.21474732384
7.2455694631           0.40335336746
2.8562315025           0.42208813080
D    1   1.00
1.0459621144            .17874813267
D    1   1.00
0.56865655             1.0000000
D    1   1.00
0.22031490             1.0000000
F    1   1.00
0.57083312             1.0000000
****
-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
1.2462900              1.0000000
****
-Sn     0
S    4   1.00
1577.0715931              0.17042767713D-03
235.26601078             0.81467057272D-03
38.206330645           -0.39057904293D-02
13.097031765            0.53245922343
S    2   1.00
11.681492759            1.5435287275
5.9647604361           0.76421510041
S    1   1.00
1.8891070740           1.0000000
S    1   1.00
0.88514080630          1.0000000
S    1   1.00
0.20500105152          1.0000000
S    1   1.00
0.76748551032D-01      1.0000000
P    3   1.00
221.55767496             0.31125177983D-03
21.084021433            0.31108097016D-01
8.7600138521          -0.27571560918
P    3   1.00
2.5912909722           0.45912328666
1.3426801157           0.49682867217
0.67732735829          0.18962377821
P    1   1.00
0.29418756752          1.0000000
P    1   1.00
0.11863762052          1.0000000
P    1   1.00
0.46215750632D-01      1.0000000
D    6   1.00
108.33210154             0.46561853277D-03
23.703936630            0.54063163067D-01
22.339843906           -0.58928768877D-01
4.0874834028           0.19588500896
1.9737354146           0.42301799185
0.90158257692          0.39252716176
D    1   1.00
0.38237153649          1.0000000
D    1   1.00
0.12000000000          1.0000000
F    1   1.00
1.0000000              1.0000000
F    1   1.00
0.2939284850           1.0000000
****
-I     0
S    5   1.00
5899.5791533              0.24188269271D-03
898.54238765             0.15474041742D-02
200.37237912             0.42836684457D-02
31.418053840           -0.39417936275D-01
15.645987838            0.96086691992
S    2   1.00
11.815741857            0.75961524091
6.4614458287           0.42495501835
S    1   1.00
2.3838067579           1.0000000
S    1   1.00
1.1712089662           1.0000000
S    1   1.00
0.32115875757          1.0000000
S    1   1.00
0.12387919364          1.0000000
P    3   1.00
197.30030547             0.73951226905D-03
20.061411349            0.66168450008D-01
9.7631460485          -0.28554662348
P    4   1.00
12.984316904           -0.49096186164D-01
3.6199503008           0.38914432482
2.0232273090           0.65610817262
1.0367490559           0.31803551647
P    1   1.00
0.45937816000          1.0000000
P    1   1.00
0.19116532928          1.0000000
P    1   1.00
0.74878813023D-01      1.0000000
D    6   1.00
119.12671745             0.82596039573D-03
33.404240134            0.68377675770D-02
17.805918203           -0.10308158997D-01
4.8990510353           0.22670457658
2.4516753106           0.44180113937
1.1820693432           0.36775472225
D    1   1.00
0.52923110068          1.0000000
D    1   1.00
0.17000000000          1.0000000
F    1   1.00
2.1800000              1.0000000
F    1   1.00
0.44141808             1.0000000
****
-Au     0
S    3   1.00
30.000000000            0.20749231108
27.000000000           -0.33267893394
14.746824331            0.38302817958
S    1   1.00
5.6017248938           1.0000000
S    1   1.00
1.3874162443           1.0000000
S    1   1.00
0.62923031957          1.0000000
S    1   1.00
0.14027517613          1.0000000
S    1   1.00
0.49379413761D-01      1.0000000
P    4   1.00
15.500000000            0.15001711880
14.000000000           -0.23609813183
6.4227368205           0.31458896948
1.6595601681          -0.57279670446
P    1   1.00
0.79402913993          1.0000000
P    1   1.00
0.35125155397          1.0000000
P    1   1.00
0.45000000000D-01      1.0000000
D    4   1.00
9.5524098656           0.40145559502D-01
7.2698886937          -0.93690906606D-01
1.7746496789           0.31746282317
0.79960541055          0.46795192483
D    1   1.00
0.33252279372          1.0000000
D    1   1.00
0.12445133105          1.0000000
F    1   1.00
0.7248200              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
-SN     0
SN-ECP     3     28
f potential
2
2     12.28234800           -12.57633300
2     12.27215000           -16.59594400
s-f potential
4
2     17.42041400           279.98868200
2      7.63115500            62.37781000
2     12.28234800            12.57633300
2     12.27215000            16.59594400
p-f potential
6
2     16.13102400            66.16252300
2     15.62807700           132.17439600
2      7.32560800            16.33941700
2      6.94251900            32.48895900
2     12.28234800            12.57633300
2     12.27215000            16.59594400
d-f potential
6
2     15.51497600            36.38744100
2     15.18816000            54.50784100
2      5.45602400             8.69682300
2      5.36310500            12.84020800
2     12.28234800            12.57633300
2     12.27215000            16.59594400
-I     0
I-ECP     3     28
f potential
4
2     19.45860900           -21.84204000
2     19.34926000           -28.46819100
2      4.82376700            -0.24371300
2      4.88431500            -0.32080400
s-f potential
7
2     40.01583500            49.99429300
2     17.42974700           281.02531700
2      9.00548400            61.57332600
2     19.45860900            21.84204000
2     19.34926000            28.46819100
2      4.82376700             0.24371300
2      4.88431500             0.32080400
p-f potential
8
2     15.35546600            67.44284100
2     14.97183300           134.88113700
2      8.96016400            14.67505100
2      8.25909600            29.37566600
2     19.45860900            21.84204000
2     19.34926000            28.46819100
2      4.82376700             0.24371300
2      4.88431500             0.32080400
d-f potential
10
2     15.06890800            35.43952900
2     14.55532200            53.17605700
2      6.71864700             9.06719500
2      6.45639300            13.20693700
2      1.19177900             0.08933500
2      1.29115700             0.05238000
2     19.45860900            21.84204000
2     19.34926000            28.46819100
2      4.82376700             0.24371300
2      4.88431500             0.32080400
-AU     0
AU-ECP     3     60
f potential
2
2      4.78982000            30.49008890
2      2.39491000             5.17107381
s-f potential
4
2     13.20510000           426.84667920
2      6.60255000            37.00708285
2      4.78982000           -30.49008890
2      2.39491000            -5.17107381
p-f potential
4
2     10.45202000           261.19958038
2      5.22601000            26.96249604
2      4.78982000           -30.49008890
2      2.39491000            -5.17107381
d-f potential
4
2      7.85110000           124.79066561
2      3.92555000            16.30072573
2      4.78982000           -30.49008890
2      2.39491000            -5.17107381


