%chk=RO-TS.chk
%nprocshared=12
%mem=22GB
#p opt=(calcfc,noeigentest,ts) freq=noraman b97d3/gen pseudo=read nosymm

RO-TS

-1 1
 Al                -5.66270100    2.28509400    4.26736700
 O                 -4.05138200    2.63170800    3.20891600
 O                 -5.20598400    3.47273300    5.63700700
 N                 -6.34549400    4.23089100    3.08917900
 O                 -7.43768700    1.98832800    4.55109400
 O                 -5.69483200    1.07632300    2.44469800
 C                 -6.14451300    4.21457300    6.21723800
 C                 -7.00110100    5.05192700    5.44233000
 C                 -8.09440100    5.71356300    6.01101600
 C                 -8.31636000    5.59684400    7.38126400
 C                 -7.42480400    4.91960900    8.21144000
 C                 -6.33629600    4.27305900    7.61903100
 C                 -6.56916700    5.37602700    4.03622000
 H                 -8.76491500    6.30408900    5.39024400
 H                 -7.56575400    4.88533300    9.28828600
 C                 -8.53764900    2.71389300    4.43092000
 C                 -9.58254400    2.62417900    5.38253400
 C                -10.75476900    3.37585800    5.31081600
 C                -10.90351400    4.24976300    4.23521500
 C                 -9.90821800    4.39491000    3.27142200
 C                 -8.73389000    3.63803300    3.36781700
 H                -11.51299600    3.29302300    6.08433800
 H                -10.03236300    5.10816500    2.45771500
 C                 -7.61639800    3.87508800    2.38935600
 C                 -3.40153100    3.84016800    3.26383400
 C                 -2.14804800    3.98897700    3.85960800
 C                 -1.47483500    5.21346900    3.83667800
 C                 -2.09799700    6.28600300    3.19695800
 C                 -3.35697100    6.17614800    2.60373600
 C                 -4.01218200    4.94011300    2.64097100
 H                 -0.49665100    5.31883300    4.29683800
 H                 -3.81744600    7.03493400    2.11931200
 C                 -5.38256900    4.71987200    2.05178500
 C                 -6.14111600   -0.19611800    2.26982600
 C                 -7.48483800   -0.52137900    1.99189500
 C                 -7.93372400   -1.84185200    1.87849700
 C                 -7.01243400   -2.87462200    2.02524700
 C                 -5.66044500   -2.61370400    2.23697400
 C                 -5.22747800   -1.28330200    2.33342500
 H                 -1.27347900   -0.99926800    1.73524200
 H                 -8.98233200   -2.04479300    1.67986100
 H                 -4.95498200   -3.43057700    2.36949200
 H                 -4.47394000   -1.10356500    0.08426300
 Al                -4.10086200    1.66796200    1.58453600
 H                 -1.63568400    0.44831800    2.70856500
 O                 -2.59418300    2.59445600    1.06777500
 N                 -3.19094800   -0.13160900    1.42672900
 O                 -4.94755000    1.69157400   -0.02994300
 H                 -7.40415500    2.98779000    1.78204100
 C                 -1.50483400    2.16796100    0.45797900
 C                 -0.99025000    0.86525800    0.69834200
 C                  0.13866500    0.39030700    0.02196800
 C                  0.77320500    1.21905900   -0.90249200
 C                  0.31613100    2.51153900   -1.16745100
 C                 -0.80806900    2.96699000   -0.47867400
 C                 -1.70981100    0.01118800    1.70187700
 H                  0.51222900   -0.61607600    0.20657700
 H                  0.80927300    3.14472400   -1.89987800
 C                 -4.15536200    1.43969800   -1.07928500
 C                 -4.05216700    2.32344300   -2.17297100
 C                 -3.17250200    2.10983800   -3.23446800
 C                 -2.37938600    0.96167200   -3.20203700
 C                 -2.45149000    0.03977700   -2.15916700
 C                 -3.33424400    0.27603700   -1.09782800
 H                 -3.09025800    2.83274200   -4.04117100
 H                 -1.80020800   -0.83161800   -2.15372400
 C                 -3.45061000   -0.71078900    0.04586000
 H                 -2.76250800   -1.55719000   -0.09877100
 H                 -5.60072500    5.88513500    4.12059500
 H                 -7.27749500    6.08425900    3.57363800
 H                 -7.90003200    4.69584200    1.70583800
 C                 -3.75580800   -1.01744900    2.50966900
 H                 -3.20186600   -1.96685600    2.51863100
 H                 -3.56256100   -0.48872100    3.45241800
 H                 -5.36213700    3.99090800    1.22735400
 H                 -5.76101400    5.65901800    1.61077300
 O                 -4.92600300    0.73885300    5.00377300
 C                 -4.91020600    0.04814500    6.26999400
 C                 -5.45387700   -1.00285300    5.39850400
 H                 -3.88523700   -0.09587400    6.62958400
 C                 -6.93010200   -1.19061900    5.37511100
 H                 -7.19400300   -2.00454400    4.69463400
 H                 -7.37402500   -0.26223800    4.98691500
 C                 -5.88525500    0.50154900    7.35805300
 H                 -5.34411500    1.00608900    8.16297200
 H                 -6.59660300    1.22321500    6.93932700
 C                 -7.48281000   -1.43643600    6.80758000
 C                 -6.62898400   -0.74025100    7.89234800
 H                 -7.49189600   -2.51852100    6.99081300
 H                 -8.51808200   -1.06931000    6.83476800
 H                 -7.25753600   -0.45171000    8.74789800
 Cl                -9.78566300    6.37010600    8.10801600
 Cl                -5.09991900    3.55090200    8.71182700
 Cl               -12.40973400    5.24914500    4.11191100
 Cl                -9.37063300    1.54709800    6.80431500
 Cl                 2.22076500    0.60121300   -1.79418300
 Cl                -1.41810100    4.62197200   -0.81164600
 Cl                -5.04737800    3.82024000   -2.15837200
 Cl                -1.19415800    0.68450400   -4.53903200
 Cl                -1.24445400    7.87543600    3.14550600
 Cl                -1.36698700    2.57619800    4.63305700
 Cl                -7.58210200   -4.57596200    1.91529400
 Cl                -8.71830000    0.74725900    1.72693500
 H                 -5.88008200   -1.45652600    8.26376000
 H                 -4.76977400   -1.52902000    4.73455300
 I                 -4.66603300   -3.84490200    6.06683400

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        
****
Cl     0 
S   2   1.00
      2.2310000             -0.4900589        
      0.4720000              1.2542684        
S   1   1.00
      0.1631000              1.0000000        
P   2   1.00
      6.2960000             -0.0635641        
      0.6333000              1.0141355        
P   1   1.00
      0.1819000              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        
CL     0
CL-ECP     2     10
d   potential
  5
1     94.8130000            -10.0000000        
2    165.6440000             66.2729170        
2     30.8317000            -28.9685950        
2     10.5841000            -12.8663370        
2      3.7704000             -1.7102170        
s-d potential
  5
0    128.8391000              3.0000000        
1    120.3786000             12.8528510        
2     63.5622000            275.6723980        
2     18.0695000            115.6777120        
2      3.8142000             35.0606090        
p-d potential
  6
0    216.5263000              5.0000000        
1     46.5723000              7.4794860        
2    147.4685000            613.0320000        
2     48.9869000            280.8006850        
2     13.2096000            107.8788240        
2      3.1831000             15.3439560        
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


