%chk=RO-TS.chk
%nprocshared=12
%mem=20GB
#p opt=(calcfc,noeigentest,ts) freq=noraman b97d3/gen pseudo=read nosymm

RO-TS

-1 1
 Al                -5.68926200    2.32528300    4.21251400
 O                 -4.06296600    2.67564300    3.19212700
 O                 -5.21461300    3.49464400    5.61048100
 N                 -6.37386400    4.24165800    3.08923800
 O                 -7.46897300    2.00849500    4.54606600
 O                 -5.69583000    1.10877600    2.46124500
 C                 -6.13527400    4.23529500    6.20829200
 C                 -7.00577700    5.06457700    5.44762600
 C                 -8.10057900    5.70735300    6.02794400
 C                 -8.30586600    5.58494100    7.39742500
 C                 -7.39586800    4.91868800    8.21269500
 C                 -6.30754700    4.28805400    7.61016500
 C                 -6.58885700    5.38870200    4.03900700
 H                 -8.78747700    6.28559500    5.41762400
 H                 -7.52459900    4.87994500    9.28835100
 C                 -8.57062500    2.72568600    4.43554600
 C                 -9.61128000    2.62388600    5.38680200
 C                -10.77351000    3.38681500    5.33111800
 C                -10.92090100    4.28098800    4.27578600
 C                 -9.93306800    4.42911000    3.30893800
 C                 -8.76714900    3.66276100    3.38651400
 H                -11.52719400    3.29795700    6.10482900
 H                -10.05649700    5.15488300    2.50961800
 C                 -7.65675500    3.89706800    2.40120400
 C                 -3.41915700    3.88365500    3.23768900
 C                 -2.16216500    4.04190500    3.81663600
 C                 -1.49934900    5.26768600    3.76783300
 C                 -2.13319800    6.32847400    3.12413600
 C                 -3.39725200    6.20525400    2.55102700
 C                 -4.04427500    4.96924600    2.61343900
 H                 -0.51743500    5.38299300    4.21136300
 H                 -3.86614000    7.05444200    2.06363000
 C                 -5.41715400    4.72739300    2.04080600
 C                 -6.16567400   -0.15737600    2.26895300
 C                 -7.50869800   -0.46033900    1.98196400
 C                 -7.96516500   -1.77400800    1.85471500
 C                 -7.05778800   -2.81605100    1.99237500
 C                 -5.70704900   -2.57221000    2.21315800
 C                 -5.26436500   -1.24971000    2.32852000
 H                 -1.29794700   -1.01996100    1.78855500
 H                 -9.01250300   -1.96434500    1.65061300
 H                 -5.01131400   -3.39418800    2.34639800
 H                 -4.47399700   -1.09580000    0.08702000
 Al                -4.08667500    1.66972700    1.59347200
 H                 -1.65203000    0.44174800    2.73726000
 O                 -2.55636800    2.57689400    1.08170400
 N                 -3.19927800   -0.13373800    1.44374800
 O                 -4.92748300    1.68915700   -0.03748200
 H                 -7.45855400    3.01239300    1.79056600
 C                 -1.47507800    2.13044000    0.47688000
 C                 -0.98004500    0.82659000    0.73510000
 C                  0.13821400    0.32679900    0.06481200
 C                  0.77779000    1.12690600   -0.87693200
 C                  0.33336100    2.41585000   -1.16357400
 C                 -0.77806100    2.90034900   -0.47931500
 C                 -1.72061400   -0.00793700    1.73861600
 H                  0.49615600   -0.68019500    0.26172800
 H                  0.82546400    3.02500200   -1.91299600
 C                 -4.13043500    1.42993600   -1.07720600
 C                 -4.00548900    2.31517500   -2.16412800
 C                 -3.10286300    2.10337800   -3.20220000
 C                 -2.31308000    0.95686800   -3.15855500
 C                 -2.41081500    0.03331200   -2.12348700
 C                 -3.31222400    0.26769900   -1.08108500
 H                 -2.99859500    2.82982600   -3.99958300
 H                 -1.75943900   -0.83461900   -2.10623600
 C                 -3.44824100   -0.71596600    0.06277700
 H                 -2.76793600   -1.56596100   -0.07357500
 H                 -5.62263500    5.89781200    4.11439300
 H                 -7.30329400    6.09084900    3.58427300
 H                 -7.93859100    4.72307200    1.72879700
 C                 -3.79437500   -1.00131400    2.53012500
 H                 -3.25747800   -1.95572500    2.57996300
 H                 -3.61894100   -0.45876500    3.46542700
 H                 -5.39220000    3.98837100    1.22898400
 H                 -5.80878100    5.65448900    1.59424900
 O                 -4.97648500    0.77802900    5.02858700
 C                 -4.93223400    0.08374400    6.29448600
 C                 -5.45761200   -0.92334100    5.36028600
 H                 -3.90093200   -0.04794200    6.63108600
 C                 -6.91693400   -1.19822700    5.36978700
 H                 -7.15130200   -2.00285600    4.67086600
 H                 -7.42924000   -0.28748800    5.03324000
 C                 -5.91768200    0.47557400    7.38729200
 H                 -5.40508200    1.00082200    8.19322500
 H                 -6.66765100    1.15719400    6.97627800
 C                 -7.40142100   -1.54366300    6.80733000
 C                 -6.58449900   -0.81631300    7.90260400
 H                 -7.31442200   -2.62605300    6.94767900
 H                 -8.46121400   -1.27270500    6.87724300
 H                 -7.22349000   -0.58491900    8.76374200
 H                 -5.79465000   -1.49111700    8.26103900
 H                 -4.76761600   -1.48377500    4.75771300
 I                 -4.27421800   -3.89867800    5.67835400
 C                 -1.40937375    7.68574316    3.04998150
 H                 -1.54043293    8.21075394    3.97306718
 H                 -0.36593261    7.52448356    2.87641329
 H                 -1.81883910    8.26502926    2.24894109
 C                 -1.47900315    2.83771681    4.49103995
 H                 -0.48326414    2.73484001    4.11312436
 H                 -1.44460750    2.99364242    5.54905892
 H                 -2.03447363    1.94799211    4.27951571
 C                 -5.23074159    3.67653761    8.52566367
 H                 -4.83736048    4.43512095    9.16963775
 H                 -5.66534774    2.89737380    9.11635923
 H                 -4.44134683    3.27223349    7.92708694
 C                 -9.56055205    6.21479545    8.03039127
 H                 -9.27902573    6.77873896    8.89503607
 H                -10.03167425    6.86192028    7.32033963
 H                -10.24271821    5.44135301    8.31558617
 C                -12.18920718    5.15121389    4.20024561
 H                -12.81045805    4.80746468    3.39975587
 H                -12.72553648    5.08085906    5.12344715
 H                -11.91285232    6.16995516    4.02504798
 C                 -9.43400655    1.67331379    6.58537890
 H                 -9.49216438    0.65949455    6.24820205
 H                 -8.47976267    1.84440612    7.03819898
 H                -10.20692217    1.85557847    7.30251279
 C                 -7.56385469   -4.26700452    1.89122954
 H                 -7.66886230   -4.53713400    0.86122786
 H                 -6.86209497   -4.92315837    2.36228731
 H                 -8.51222444   -4.34885078    2.37989711
 C                 -8.56209227    0.63984359    1.75489838
 H                 -9.13407957    0.77594024    2.64888284
 H                 -8.07157058    1.55661804    1.50228587
 H                 -9.21253016    0.35138471    0.95576008
 C                 -4.85036519    3.60272352   -2.16239022
 H                 -5.88036234    3.35324921   -2.01484892
 H                 -4.52180607    4.24385130   -1.37124922
 H                 -4.73595126    4.10566510   -3.09986513
 C                 -1.29185875    4.31677083   -0.79768751
 H                 -0.85575111    5.01612566   -0.11532914
 H                 -1.01967675    4.57823972   -1.79891225
 H                 -2.35713764    4.34008394   -0.70002791
 C                 -1.27171877    0.73079507   -4.27033637
 H                 -1.77229341    0.60432194   -5.20752877
 H                 -0.61958477    1.57729279   -4.32567939
 H                 -0.69973523   -0.14630615   -4.05027209
 C                  1.99610222    0.56945049   -1.63624662
 H                  2.18656694    1.17431435   -2.49808355
 H                  2.85256842    0.58249210   -0.99500130
 H                  1.79566058   -0.43577786   -1.94323053

C,H,O,N 0
6-311G**
****
Al     0 
S   2   1.00
      0.9615000             -0.5021546        
      0.1819000              1.2342547        
S   1   1.00
      0.0657000              1.0000000        
P   2   1.00
      1.9280000             -0.0712584        
      0.2013000              1.0162966        
P   1   1.00
      0.0580000              1.0000000        
****
I     0 
S   2   1.00
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
S   1   1.00
      0.1336000              1.0000000        
P   2   1.00
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
P   1   1.00
      0.1053000              1.0000000        
****

AL     0
AL-ECP     2     10
d   potential
  5
1    304.7291926            -10.0000000        
2     61.5299768            -63.8079837        
2     13.9259006            -22.8972174        
2      4.1463626             -8.0063232        
2      1.3715443             -0.8829345        
s-d potential
  5
0    467.8437756              3.0000000        
1     79.3992216             50.9705682        
2     25.4035967            143.8716460        
2      6.9954696             48.0055753        
2      1.7860129             14.0114180        
p-d potential
  6
0    776.2717190              5.0000000        
1    118.4992254             93.0595424        
2     34.4107276            266.7686329        
2      8.7859563             70.0725805        
2      2.3406228             17.2290839        
2      0.7398386              0.7105331               
I     0
I-ECP     3     46
f   potential
  5
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
s-f potential
  5
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
p-f potential
  5
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
d-f potential
  5
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657


