%nprocshared=12
%mem=20GB
#p m062x/genecp nosymm empiricaldispersion=gd3

adduct_I_m062x

0 1
 C	 0.296128000	-3.501853000	-0.932467000
 C	 0.043941000	-2.728675000	-2.070778000
 H	-0.803266000	-2.049290000	-2.109030000
 I	-1.040552000	-3.239384000	 0.775468000
 Au	-0.193095000	-0.524709000	 0.666080000
 C	 1.393027000	-4.360997000	-0.823849000
 H	 1.570784000	-4.941494000	 0.079698000
 C	 2.277166000	-4.443282000	-1.915920000
 H	 3.143084000	-5.102533000	-1.848049000
 C	 2.054470000	-3.679481000	-3.071947000
 H	 2.750311000	-3.744123000	-3.908818000
 C	 0.940860000	-2.827251000	-3.147755000
 H	 0.763134000	-2.225357000	-4.039638000
 P	 1.354779000	 1.087808000	 0.253821000
 C	 1.373504000	 2.355285000	 1.585719000
 C	 3.042821000	 0.226554000	 0.278746000
 C	 0.973193000	 1.977991000	-1.395660000
 C	 2.205112000	 3.487134000	 1.417449000
 C	 0.517342000	 2.297662000	 2.723888000
 C	 3.155962000	-0.532661000	 1.634814000
 C	 4.263770000	 1.181336000	 0.171921000
 C	 3.069312000	-0.816254000	-0.873622000
 C	 2.213005000	 2.548456000	-2.135877000
 C	 0.270328000	 0.950333000	-2.336774000
 C	-0.023620000	 3.133641000	-1.097523000
 H	 2.851418000	 3.551280000	 0.545857000
 C	 2.197016000	 4.548320000	 2.329938000
 C	 0.517265000	 3.380559000	 3.628909000
 N	-0.328732000	 1.164471000	 2.973375000
 H	 3.135397000	 0.193051000	 2.462422000
 H	 2.302624000	-1.217636000	 1.755744000
 C	 4.471204000	-1.348009000	 1.684677000
 C	 5.579445000	 0.359176000	 0.200250000
 H	 4.257349000	 1.878114000	 1.022111000
 H	 4.225172000	 1.769595000	-0.750658000
 C	 4.389711000	-1.621291000	-0.823542000
 H	 2.982571000	-0.311389000	-1.845827000
 H	 2.213218000	-1.498716000	-0.770919000
 H	 2.742928000	 3.275423000	-1.504794000
 H	 2.910047000	 1.734703000	-2.378984000
 C	 1.771424000	 3.242282000	-3.452342000
 C	-0.153376000	 1.631233000	-3.659332000
 H	 0.941474000	 0.103658000	-2.535638000
 H	-0.631892000	 0.556880000	-1.855396000
 C	-0.463901000	 3.806679000	-2.421596000
 H	 0.452353000	 3.884320000	-0.451817000
 H	-0.902664000	 2.738227000	-0.574747000
 H	 2.845392000	 5.409536000	 2.166145000
 C	 1.340120000	 4.496541000	 3.439307000
 H	-0.136191000	 3.333522000	 4.499389000
 C	-1.701290000	 1.488451000	 3.383865000
 C	 0.287740000	 0.190384000	 3.887443000
 H	 4.517834000	-1.874920000	 2.650881000
 C	 5.680990000	-0.396627000	 1.544008000
 C	 4.479143000	-2.372291000	 0.525004000
 H	 6.425580000	 1.056469000	 0.097033000
 C	 5.587908000	-0.655194000	-0.968672000
 H	 4.385133000	-2.344694000	-1.652654000
 H	 2.668694000	 3.650090000	-3.944609000
 C	 0.779822000	 4.385689000	-3.136237000
 C	 1.088636000	 2.206920000	-4.374974000
 C	-1.154146000	 2.765553000	-3.333334000
 H	-0.640810000	 0.875115000	-4.295361000
 H	-1.168569000	 4.617807000	-2.180242000
 H	 1.317731000	 5.316206000	 4.159121000
 H	-2.298157000	 0.568837000	 3.321667000
 H	-2.125038000	 2.224483000	 2.692118000
 H	-1.765970000	 1.877869000	 4.420056000
 H	 0.403648000	 0.596383000	 4.913881000
 H	 1.270657000	-0.102929000	 3.502489000
 H	-0.352758000	-0.703216000	 3.927513000
 H	 6.619317000	-0.974186000	 1.583333000
 H	 5.690914000	 0.324171000	 2.378258000
 H	 3.622796000	-3.058917000	 0.623104000
 H	 5.403298000	-2.972037000	 0.561891000
 H	 5.521715000	-0.120158000	-1.930890000
 H	 6.532945000	-1.222817000	-0.962314000
 H	 0.478970000	 4.885810000	-4.071622000
 H	 1.265160000	 5.138098000	-2.492114000
 H	 1.795824000	 1.394650000	-4.613953000
 H	 0.792893000	 2.687029000	-5.322194000
 H	-2.038585000	 2.349040000	-2.825299000
 H	-1.492003000	 3.249268000	-4.264818000
 Sb	-3.897538000	 0.244759000	-0.203235000
 F	-2.625111000	 1.592158000	 0.291568000
 F	-4.351086000	 1.291383000	-1.734287000
 F	-2.598826000	-0.660647000	-1.302360000
 F	-5.141486000	-1.120432000	-0.672072000
 F	-3.390106000	-0.778245000	 1.347925000
 F	-5.212392000	 1.137458000	 0.848023000

-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
****
-N     0
S    6   1.00
19730.8006470              0.21887984991D-03
2957.8958745              0.16960708803D-02
673.22133595             0.87954603538D-02
190.68249494             0.35359382605D-01
62.295441898            0.11095789217
22.654161182            0.24982972552
S    2   1.00
8.9791477428           0.40623896148
3.6863002370           0.24338217176
S    1   1.00
0.84660076805          1.0000000
S    1   1.00
0.33647133771          1.0000000
S    1   1.00
0.13647653675          1.0000000
P    4   1.00
49.200380510            0.55552416751D-02
11.346790537            0.38052379723D-01
3.4273972411           0.14953671029
1.1785525134           0.34949305230
P    1   1.00
0.41642204972           .45843153697
P    1   1.00
0.14260826011           .24428771672
D    1   1.00
1.65400000             1.0000000
D    1   1.00
0.46900000             1.0000000
F    1   1.00
1.09300000             1.0000000
****
-F     0
S    6   1.00
35479.1004410              0.21545014888D-03
5318.4728983              0.16700686527D-02
1210.4810975              0.86733211476D-02
342.85518140             0.35049933175D-01
112.01943181             0.11165320133
40.714740248            0.25988506647
S    2   1.00
16.039678111            0.39422966880
6.5038186740           0.24998238551
S    1   1.00
1.5440477509           1.0000000
S    1   1.00
0.61223452862          1.0000000
S    1   1.00
0.24027979698          1.0000000
P    4   1.00
80.233900483            0.63685999134D-02
18.594010743            0.44303143530D-01
5.6867902653           0.16867248708
1.9511006294           0.36166346255
P    1   1.00
0.66970211298           .44202901491
P    1   1.00
0.21651300410           .24319875730
D    1   1.00
3.10700000             1.0000000
D    1   1.00
0.85500000             1.0000000
F    1   1.00
1.91700000             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
****
-Sb     0
S    4   1.00
1612.4199933              0.28540380783D-03
238.84452097             0.13393778746D-02
23.998118809           -0.49388154574D-01
15.193124213            0.43392227254
S    2   1.00
11.736409733            0.92125519965
6.5259774794           0.79235280226
S    1   1.00
2.0247451872           1.0000000
S    1   1.00
0.97113418587          1.0000000
S    1   1.00
0.24254333998          1.0000000
S    1   1.00
0.92206608177D-01      1.0000000
P    3   1.00
215.68393354             0.26051823221D-03
16.374479088            0.73728000195D-01
9.7216283345          -0.27230028128
P    3   1.00
2.7982643154           0.46472692374
1.4711045033           0.50364242075
0.75165385301          0.18706666294
P    1   1.00
0.33168699849          1.0000000
P    1   1.00
0.13931606366          1.0000000
P    1   1.00
0.56399307526D-01      1.0000000
D    6   1.00
115.90312253             0.53140915051D-03
30.474233720            0.59411139166D-02
18.228418239           -0.10563706947D-01
4.3291456646           0.20348177341
2.1294818496           0.42748378928
0.99682636692          0.38539560809
D    1   1.00
0.43347239863          1.0000000
D    1   1.00
0.14000000000          1.0000000
F    1   1.00
1.1000000              1.0000000
F    1   1.00
0.32369706             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
****

-SB     0
SB-ECP     3     28
f potential
2
2     14.44497800           -15.36680100
2     14.44929500           -20.29613800
s-f potential
4
2     16.33086500           281.07158100
2      8.55654200            61.71660400
2     14.44497800            15.36680100
2     14.44929500            20.29613800
p-f potential
6
2     14.47033700            67.45738000
2     13.81619400           134.93350300
2      8.42492400            14.71634400
2      8.09272800            29.51851200
2     14.44497800            15.36680100
2     14.44929500            20.29613800
d-f potential
6
2     14.88633100            35.44781500
2     15.14631900            53.14346600
2      5.90826700             9.17922300
2      5.59432200            13.24025300
2     14.44497800            15.36680100
2     14.44929500            20.29613800
-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


