%nprocshared=24
%mem=120GB
#p b3lyp/genecp scrf=(smd,solvent=toluene) nosymm empiricaldispersion=gd3

aductarylBr19_tol_SP

0 1
 Au	-0.891105000	-0.931961000	 1.481363000
 P	 1.335762000	-0.418553000	 1.771543000
 C	 1.537449000	 0.871010000	 3.052612000
 H	 1.060870000	 0.506847000	 3.966967000
 H	 2.598827000	 1.069383000	 3.235138000
 H	 1.041858000	 1.792671000	 2.736445000
 C	 2.289742000	-1.846680000	 2.400365000
 H	 2.296239000	-2.644453000	 1.652655000
 H	 3.318082000	-1.553168000	 2.634839000
 H	 1.785031000	-2.206984000	 3.301424000
 C	 2.270615000	 0.195900000	 0.317781000
 H	 3.307584000	 0.418217000	 0.590347000
 H	 2.257967000	-0.561226000	-0.471151000
 H	 1.795382000	 1.103641000	-0.064293000
 Sn	-3.909030000	 0.242190000	 2.652493000
 C	-2.419407000	 1.703627000	 3.232713000
 H	-1.660348000	 1.202801000	 3.836949000
 H	-1.951540000	 2.150804000	 2.350157000
 H	-2.882250000	 2.501841000	 3.822201000
 C	-5.424596000	 1.212315000	 1.430171000
 H	-4.962840000	 1.777487000	 0.614171000
 H	-6.105549000	 0.474705000	 0.995007000
 H	-6.014855000	 1.911396000	 2.031285000
 C	-4.746288000	-0.864788000	 4.303915000
 H	-5.465644000	-1.609071000	 3.949939000
 H	-3.931675000	-1.365701000	 4.833199000
 H	-5.256367000	-0.189539000	 4.997743000
 C	-3.127147000	-1.307751000	 1.233872000
 C	-3.200954000	-1.067793000	-0.169923000
 C	-3.050198000	-2.669741000	 1.650789000
 C	-3.214508000	-2.116661000	-1.091843000
 H	-3.280824000	-0.046441000	-0.533223000
 C	-3.065021000	-3.715566000	 0.725539000
 H	-2.969999000	-2.890178000	 2.711750000
 C	-3.155500000	-3.437825000	-0.641768000
 H	-3.277310000	-1.903982000	-2.155285000
 H	-3.009022000	-4.743501000	 1.071710000
 H	-3.174922000	-4.253569000	-1.359421000
 Br	-0.898714000	-1.693066000	 4.665209000

-C -H -P -Cl -N -O -F 0
cc-pvtz
****
-Br     0
S    10   1.00
9659.3900000              0.0003710
1455.9600000              0.0025710
325.9140000              0.0084850
46.5657000              0.0782220
18.2469000             -0.3971490
3.8020100              0.6858640
1.7863200              0.4868190
0.6027140              0.0349130
0.2840140             -0.0065730
0.1202710              0.0016420
S    1   1.00
0.6027140              1.0000000
S    1   1.00
0.2840140              1.0000000
S    10   1.00
9659.3900000             -0.0001520
1455.9600000             -0.0010080
325.9140000             -0.0036090
46.5657000             -0.0278720
18.2469000              0.1513170
3.8020100             -0.3514970
1.7863200             -0.4107030
0.6027140              0.3473160
0.2840140              0.6754910
0.1202710              0.2440080
S    1   1.00
0.1202710              1.0000000
P    9   1.00
492.1870000              0.0004720
92.3642000              0.0054940
27.0718000             -0.0880300
7.2653900              0.3434850
3.4848100              0.5102080
1.6404800              0.2486310
0.6485700              0.0222010
0.2564070             -0.0004190
0.0953040              0.0006560
P    1   1.00
0.7666000              1.0000000
P    9   1.00
492.1870000             -0.0001580
92.3642000             -0.0013440
27.0718000              0.0246160
7.2653900             -0.1125320
3.4848100             -0.1797750
1.6404800             -0.0736610
0.6485700              0.3487340
0.2564070              0.5579480
0.0953040              0.2664560
P    1   1.00
0.1182000              1.0000000
D    8   1.00
338.9960000              0.0015240
103.2170000              0.0156730
42.3638000              0.0724000
18.4356000              0.1863030
8.3725400              0.3238810
3.8022200              0.3745340
1.6867700              0.2574180
0.6775200              0.0680510
D    1   1.00
0.6775200              1.0000000
D    1   1.00
0.2553000              1.0000000
F    1   1.00
0.5606000              1.0000000
****
-Sn     0
S    11   1.00
3672.4000000              0.0001170
558.1430000              0.0006870
114.0890000              0.0021300
31.4006000             -0.0376690
19.6318000              0.1591490
6.7720500             -0.6517540
1.8335100              0.8376920
0.8777150              0.4884260
0.2373960              0.0217960
0.1120680             -0.0074610
0.0517570              0.0018720
S    1   1.00
0.2373960              1.0000000
S    1   1.00
0.1120680              1.0000000
S    11   1.00
3672.4000000              0.0000430
558.1430000              0.0003070
114.0890000              0.0004960
31.4006000             -0.0091050
19.6318000              0.0498980
6.7720500             -0.2498540
1.8335100              0.4440970
0.8777150              0.3520250
0.2373960             -0.4997000
0.1120680             -0.5743570
0.0517570             -0.1655790
S    1   1.00
0.0638000              1.0000000
P    9   1.00
216.9700000              0.0002260
20.9102000              0.0229170
8.7961100             -0.1971460
2.5673700              0.4679170
1.3145100              0.4960430
0.6535910              0.1766100
0.2721500              0.0128500
0.1107360              0.0001190
0.0440340              0.0001730
P    1   1.00
0.3451000              1.0000000
P    9   1.00
216.9700000             -0.0000810
20.9102000             -0.0054570
8.7961100              0.0530050
2.5673700             -0.1546650
1.3145100             -0.1589400
0.6535910             -0.0497030
0.2721500              0.3271270
0.1107360              0.5670890
0.0440340              0.2642970
P    1   1.00
0.0568000              1.0000000
D    9   1.00
130.2430000              0.0003190
36.7762000              0.0026780
14.6321000             -0.0101090
4.6969500              0.1197680
2.5307800              0.3226000
1.3017400              0.3842380
0.6465750              0.2653580
0.3023160              0.0903770
0.1160000              0.0073340
D    1   1.00
0.3023160              1.0000000
D    1   1.00
0.1160000              1.0000000
F    1   1.00
0.2822000              1.0000000
****
-I     0
S    11   1.00
5.546500D+03           1.560000D-04
8.382140D+02           9.860000D-04
1.821870D+02           2.792000D-03
3.121230D+01          -4.325100D-02
1.953140D+01           2.341340D-01
8.240990D+00          -7.509430D-01
2.194550D+00           8.829680D-01
1.109110D+00           4.620610D-01
3.746410D-01           2.228600D-02
1.770800D-01          -4.353000D-03
8.106100D-02           1.102000D-03
S    1   1.00
3.746410D-01           1.000000D+00
S    1   1.00
1.770800D-01           1.000000D+00
S    11   1.00
5.546500D+03          -7.300000D-05
8.382140D+02          -5.080000D-04
1.821870D+02          -1.158000D-03
3.121230D+01           1.219300D-02
1.953140D+01          -8.785400D-02
8.240990D+00           3.382000D-01
2.194550D+00          -5.765500D-01
1.109110D+00          -4.092980D-01
3.746410D-01           5.674590D-01
1.770800D-01           6.124890D-01
8.106100D-02           1.432310D-01
S    1   1.00
1.001000D-01           1.000000D+00
P    9   1.00
1.889880D+02           5.850000D-04
2.128680D+01           3.692300D-02
1.003960D+01          -2.353240D-01
3.451800D+00           3.414830D-01
1.974560D+00           5.347880D-01
1.024200D+00           2.651410D-01
4.494370D-01           2.578700D-02
1.866480D-01           5.220000D-04
7.348100D-02           6.060000D-04
P    1   1.00
5.981000D-01           1.000000D+00
P    9   1.00
1.889880D+02          -2.560000D-04
2.128680D+01          -1.168200D-02
1.003960D+01           8.319200D-02
3.451800D+00          -1.569700D-01
1.974560D+00          -2.245180D-01
1.024200D+00          -1.144510D-01
4.494370D-01           3.753560D-01
1.866480D-01           5.751360D-01
7.348100D-02           2.459170D-01
P    1   1.00
9.618000D-02           1.000000D+00
D    9   1.00
1.326620D+02           5.720000D-04
3.760540D+01           4.402000D-03
1.038910D+01          -4.092200D-02
6.490170D+00           9.966100D-02
3.454510D+00           3.226630D-01
1.844130D+00           4.003430D-01
9.624780D-01           2.683060D-01
4.728530D-01           8.484700D-02
1.932000D-01           7.632000D-03
D    1   1.00
4.728530D-01           1.000000D+00
D    1   1.00
1.932000D-01           1.000000D+00
F    1   1.00
4.064000D-01           1.000000D+00
****
-Au     0
S    10   1.00
36.0126000              0.0190290
22.5645000             -0.1678000
14.1620000              0.4966770
8.8548700             -0.2662560
5.0607200             -0.6998980
1.4740500              0.8731080
0.7049130              0.5025820
0.2177870              0.0321960
0.0974080             -0.0055030
0.0412140              0.0025190
S    10   1.00
36.0126000             -0.0067770
22.5645000              0.0600080
14.1620000             -0.1833280
8.8548700              0.1147190
5.0607200              0.2488220
1.4740500             -0.4376710
0.7049130             -0.3311080
0.2177870              0.2741810
0.0974080              0.6377380
0.0412140              0.3092360
S    10   1.00
36.0126000              0.0039090
22.5645000              0.0337600
14.1620000             -0.1660600
8.8548700             -0.0517890
5.0607200              0.7950230
1.4740500             -1.8059270
0.7049130              0.5612390
0.2177870              1.8784270
0.0974080             -0.9692290
0.0412140             -0.5756350
S    10   1.00
36.0126000             -0.0119140
22.5645000              0.1330690
14.1620000             -0.4342870
8.8548700              0.1701570
5.0607200              1.0647560
1.4740500             -4.0055360
0.7049130              4.4028320
0.2177870             -1.4321630
0.0974080             -1.1432550
0.0412140              1.3908690
S    1   1.00
0.0412140              1.0000000
P    9   1.00
21.5954000             -0.0132180
13.5145000              0.0801960
6.2551400             -0.2966860
1.7181400              0.5289590
0.8694390              0.4788890
0.4267590              0.1576200
0.1842970              0.0138970
0.0763790              0.0008350
0.0312200             -0.0000290
P    9   1.00
21.5954000              0.0070860
13.5145000             -0.0474930
6.2551400              0.1918930
1.7181400             -0.4636370
0.8694390             -0.4351380
0.4267590              0.4944030
0.1842970              0.6751140
0.0763790              0.1315360
0.0312200              0.0024710
P    9   1.00
21.5954000              0.0129200
13.5145000             -0.0820290
6.2551400              0.3386190
1.7181400             -1.2549920
0.8694390              0.2258130
0.4267590              1.5758790
0.1842970             -0.8043540
0.0763790             -0.5073130
0.0312200              0.0102040
P    9   1.00
21.5954000              0.0030800
13.5145000             -0.0214060
6.2551400              0.0867760
1.7181400             -0.1897740
0.8694390             -0.1858350
0.4267590              0.0047800
0.1842970              0.3638360
0.0763790              0.5417640
0.0312200              0.2345610
P    1   1.00
0.0312200              1.0000000
D    8   1.00
87.0208000              0.0000440
11.0668000              0.0142880
6.6604700             -0.0688760
1.9469600              0.2395590
0.9847060              0.3873230
0.4746550              0.3487560
0.2165580              0.1984920
0.0914720              0.0498790
D    8   1.00
87.0208000             -0.0000310
11.0668000             -0.0199590
6.6604700              0.0953200
1.9469600             -0.4213430
0.9847060             -0.5069330
0.4746550              0.2854660
0.2165580              0.5825650
0.0914720              0.2194620
D    8   1.00
87.0208000             -0.0000440
11.0668000              0.0350830
6.6604700             -0.1619420
1.9469600              1.0421550
0.9847060             -0.2648650
0.4746550             -1.1163050
0.2165580              0.5457620
0.0914720              0.4996220
D    1   1.00
0.0914720              1.0000000
F    1   1.00
1.4385000              1.0000000
F    1   1.00
0.4878000              1.0000000
G    1   1.00
1.2257000              1.0000000
****

-BR     0
BR-ECP     4     10
g potential
1
2      1.0000000              0.0000000
s-g potential
3
2     70.0242570             49.9628340
2     31.1784120            370.0142050
2      7.1565930             10.2414390
p-g potential
4
2     46.7734710             99.1122440
2     46.1841200            198.2530460
2     21.7138580             28.2617400
2     20.9417920             56.6233660
d-g potential
6
2     50.6988390            -18.6058530
2     50.6447640            -27.9232800
2     15.4475090             -0.3796930
2     15.5002590             -0.7805830
2      2.8003910              0.0359680
2      1.0774800              0.0943970
f-g potential
2
2     14.4656060             -1.0912690
2     21.2340650             -2.8876910
-SN     0
SN-ECP     4     28
g potential
1
2      1.0000000              0.0000000
s-g potential
2
2     17.4204140            279.9886820
2      7.6311550             62.3778100
p-g potential
4
2     16.1310240             66.1625230
2     15.6280770            132.1743960
2      7.3256080             16.3394170
2      6.9425190             32.4889590
d-g potential
4
2     15.5149760             36.3874410
2     15.1881600             54.5078410
2      5.4560240              8.6968230
2      5.3631050             12.8402080
f-g potential
2
2     12.2823480            -12.5763330
2     12.2721500            -16.5959440
-I     0
I-ECP     4     28
g potential
1
2      1.00000000             0.00000000
s-g potential
3
2     40.03337600            49.98964900
2     17.30057600           281.00655600
2      8.85172000            61.41673900
p-g potential
4
2     15.72014100            67.41623900
2     15.20822200           134.80769600
2      8.29418600            14.56654800
2      7.75394900            28.96842200
d-g potential
4
2     13.81775100            35.53875600
2     13.58780500            53.33975900
2      6.94763000             9.71646600
2      6.96009900            14.97750000
f-g potential
4
2     18.52295000           -20.17661800
2     18.25103500           -26.08807700
2      7.55790100            -0.22043400
2      7.59740400            -0.22164600
-AU     0
AU-ECP     5     60
h potential
1
2      1.0000000              0.0000000
s-h potential
2
2     13.5232180            426.6418670
2      6.2643840             36.8006680
p-h potential
4
2     11.4138670             87.0020910
2     10.3292150            174.0043700
2      5.7074240              8.8706100
2      4.8281650             17.9024380
d-h potential
4
2      7.4309630             49.8836550
2      8.3219900             74.6845490
2      4.6096420              6.4862270
2      3.5115070              9.5468210
f-h potential
2
2      3.0846390              8.7916400
2      3.0247430             11.6584560
g-h potential
2
2      3.9784420             -5.2343370
2      4.0114910             -6.7381420

