%chk=Scan4b-trans.chk
%nprocshared=8
%mem=22GB
#p opt=modredundant b97d3/gen pseudo=read nosymm

Scan4b-trans

-1 1
 N                  1.54351300   12.30507600   -0.18844800
 O                  2.88633400    9.98772500    0.51617900
 O                  0.51228200    9.61309200   -0.82085300
 O                  1.60396400   11.22329700   -2.78961100
 C                  2.79214600   12.94343700    0.33658500
 H                  3.44708800   13.09040000   -0.53040400
 H                  2.53146800   13.94137300    0.72744800
 C                  3.49041700   12.15166900    1.41623400
 C                  3.53101200   10.73043600    1.40936600
 C                  4.24642900   10.07822200    2.45711100
 C                  4.88493300   10.83268500    3.44063200
 H                  5.42624800   10.30524700    4.22925400
 C                  4.84984200   12.23687900    3.45620800
 C                  4.13676500   12.86712600    2.43474100
 H                  4.07717500   13.95768800    2.42067500
 C                  0.61289300   11.96108100    0.93403500
 H                  1.16583500   11.30935900    1.61406400
 H                  0.37223600   12.88662100    1.48109700
 C                 -0.65578400   11.28413700    0.48583700
 C                 -0.61734100   10.10477000   -0.31134300
 C                 -1.84721500    9.42335300   -0.54714400
 C                 -3.04127000    9.95420000   -0.05368900
 H                 -3.96840500    9.41390200   -0.25715100
 C                 -3.09556500   11.14670700    0.68321700
 C                 -1.88152700   11.78595000    0.94426300
 H                 -1.87546100   12.70264600    1.53728400
 C                  0.84169000   13.25917800   -1.11541400
 H                 -0.10640800   12.77441100   -1.37338900
 H                  0.61765400   14.18017600   -0.55309500
 C                  1.62364900   13.55670500   -2.35670000
 C                  1.96931100   12.44703500   -3.16598000
 C                  2.71384100   12.67576900   -4.35275100
 C                  3.04644300   13.98942200   -4.69756000
 H                  3.62507700   14.15414400   -5.60968500
 C                  2.69662400   15.09852400   -3.90834500
 C                  1.99129800   14.85487200   -2.72381700
 H                  1.71854200   15.68881800   -2.07333500
 Al                 2.11767900   10.51967100   -1.12351500
 C                  4.37748200    9.85182500   -2.27484600
 O                  3.98958000   10.92148400   -1.71341900
 O                  5.39493000    9.51038500   -2.83344000
 C                 -4.42602386   11.68810643    1.15367654
 H                 -5.18780927   11.64514848    0.35957419
 H                 -4.81637691   11.11378082    2.00551394
 H                 -4.33972735   12.73600856    1.46776274
 C                 -1.85258900    8.12126100   -1.30426300
 H                 -1.46725000    8.24180700   -2.32311300
 H                 -1.21329500    7.37831500   -0.81241800
 H                 -2.86945300    7.71510300   -1.36814700
 C                  4.29806600    8.57450300    2.47260800
 H                  3.28856600    8.14441300    2.45503200
 H                  4.81037200    8.19278100    1.58100300
 H                  4.82519400    8.20813200    3.36210600
 C                  3.19260000   11.49906800   -5.16163800
 H                  4.16672100   11.15009500   -4.79022800
 H                  2.49663800   10.66432900   -5.06007700
 H                  3.30749000   11.75899200   -6.22223200
 C                  3.06125100   16.50273600   -4.33507100
 H                  4.08033700   16.54670600   -4.74374100
 H                  2.38378100   16.88298900   -5.11611900
 H                  3.00962100   17.20094200   -3.48975300
 C                  5.55298097   13.01728692    4.54322530
 H                  6.27322094   12.39184656    5.09287923
 H                  6.10790694   13.86633168    4.12454280
 H                  4.84254573   13.41433332    5.28313101
 O                  3.23707900    8.90309000   -2.16683400
 C                  3.52090200    7.54921000   -2.60478000
 H                  4.58982700    7.41156900   -2.43375600
 C                  2.74104600    6.56658900   -1.70914700
 C                  3.25889400    7.32451800   -4.10057100
 O                  3.16203300    5.17307600   -2.13861900
 C                  1.25761000    6.62023500   -2.04200900
 C                  2.99502700    6.74104900   -0.22328700
 C                  1.78995100    7.06187900   -4.55861800
 H                  3.88004000    6.46599000   -4.38234000
 H                  3.68027500    8.18089600   -4.63648100
 C                  4.43801000    4.78440500   -2.02385400
 C                  0.94397900    6.29834900   -3.50612300
 H                  0.92392000    7.62530400   -1.76624100
 H                  0.72054600    5.92062900   -1.38685600
 H                  4.06125000    6.69496900   -0.00020400
 H                  2.61581400    7.71153900    0.10482600
 H                  2.47469200    5.94888400    0.33001800
 O                  5.35875700    5.37079800   -1.50648400
 O                  4.67609300    3.56044300   -2.57674500
 H                 -0.11714000    6.49494600   -3.69987800
 H                  1.09506200    5.22377500   -3.65415100
 C                  3.72333000    2.70331700   -3.32278000
 C                  4.75784400    1.65878800   -3.79779400
 C                  3.06314400    3.42807900   -4.52283500
 C                  2.70421500    2.14805700   -2.33202000
 H                  5.25063000    1.22111500   -2.92948700
 C                  5.78296300    2.20161500   -4.79386100
 Cl                 3.85475000    0.14947800   -4.53108300
 C                  3.69381100    3.12939400   -5.88862100
 H                  3.09711300    4.49763400   -4.32708000
 H                  2.00189000    3.15632600   -4.54884400
 H                  3.21674700    1.68518900   -1.48040800
 H                  2.07445100    2.96444500   -1.96882600
 H                  2.07553900    1.39648600   -2.81708700
 C                  5.23760900    3.20569600   -5.84865200
 H                  6.24692300    1.34632900   -5.29519400
 H                  6.57054600    2.67036700   -4.19683000
 H                  3.40478300    2.12947800   -6.22581700
 H                  3.29520700    3.83621500   -6.62487500
 C                  5.72270100    4.64992300   -5.71873900
 H                  5.58899000    2.86624900   -6.83556300
 C                  6.40183900    5.15348100   -4.67914200
 C                  5.36664300    5.54020600   -6.89016200
 H                  6.63958300    4.58555500   -3.78681600
 H                  6.70054300    6.20014000   -4.66804300
 H                  5.62169100    5.06189300   -7.84772900
 H                  4.28980900    5.75764300   -6.91944600
 H                  5.89045200    6.49917300   -6.82825700
 C                  1.13712400    8.31849700   -5.11586300
 C                  0.36155100    9.14161900   -4.40309100
 C                  1.46945500    8.59661600   -6.56299300
 H                 -0.04535700   10.05136500   -4.83815000
 H                  0.16802000    8.99835000   -3.34716700
 H                  2.55780600    8.66589000   -6.71248300
 H                  1.11387800    7.77988800   -7.21188800
 H                  1.02372700    9.53570000   -6.90821400
 H                  1.87590400    6.38061600   -5.42091900
 
B 39 66 S 5 0.10300

C,H,O,N 0
6-31G*
****
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        
****

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        


