?????
????? *********************************************************
????? 
?????                        4 or 5 Heavy Atoms  HF 3-21G
?????  Number of molecules in this run:           21
?????  ASA basis set: Huzinaga
????? ASA basis set file used: Huzinaga.txt
????? ***** Number of compact QSM elements :           231
????? 
????? *********************************************************
????? 
????? 1-1'-ethanolamine
????? Number of atoms:           11
?????  Coordinates transformed to AU
?????  Promolecular Mulliken Populations DF
Ascorbic
           20
           92
            1
            6
           5.54132800000
          -1.81270380446             -1.89901050605             0.666695940904
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.78346086654             0.843642876975             0.811513384605             0.102710871881
            2
            6
           5.80031100000
          -3.47226852829            -0.239515952164            -0.140419162225
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.96028707960             0.883071902510             0.849440785922             0.107511231963
            3
            6
           5.07077800000
          -2.51177789173              2.31464480066             0.284414753836
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.46218273416             0.772003703881             0.742602534512           9.398902744849E-02
            4
            8
           8.62059600000
          -3.47881223002              4.27968114396            -0.282177880087
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.50282559094             0.915298199153              1.07454180059             0.127930409298
            5
            8
           8.68080000000
         -0.247112492248              2.09345708615              1.52663501279
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.54823963330             0.921690403680              1.08204612100             0.128823841998
            6
            6
           6.00166900000
          0.452431315857            -0.556102443872              1.73897556316
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.09776858461             0.913727774608             0.878929152627             0.111243488155
            7
            8
           8.74681800000
          -5.75015503138            -0.704717275774             -1.28200448597
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.59803938494             0.928699913987              1.09027514607             0.129803554974
            8
            8
           8.73271800000
          -1.80124003050             -4.44696341671             0.624849305774
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.58740324786             0.927202835988              1.08851760641             0.129594309723
            9
            6
           5.89998600000
           2.79778772602             -1.02287857221             0.160644042306
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.02834232951             0.898246983963             0.864037936029             0.109358750491
           10
            8
           8.70192300000
           2.11952547046            -0.526693260824             -2.40456865108
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.56417347186             0.923933153933              1.08467906499             0.129137309192
           11
            6
           6.10791000000
           4.94385580304             0.743276139939             0.899568944088
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.17030691223             0.929902500755             0.894487876726             0.113212710287
           12
            8
           8.69799900000
           6.82938922214             0.308300294075             -1.03510951837
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.56121345754             0.923516520312              1.08418994545             0.129079076684
           13
            1
          0.752234000000
           4.25543788413              2.66227823366             0.847679812814
            3
          0.549160553236             0.163751308505              2.87196102381
          0.342085877093             0.372000333718           3.814778918606E-02
           14
            1
          0.804482000000
           5.66149593178             0.302349954678              2.76359964886
            3
          0.549160553236             0.163751308505              2.87196102381
          0.365846173631             0.397838401973           4.079742439185E-02
           15
            1
          0.605989000000
           8.17639169069              1.53455753560            -0.953217214526
            3
          0.549160553236             0.163751308505              2.87196102381
          0.275579511925             0.299678172256           3.073131581539E-02
           16
            1
          0.589554000000
           3.67191632268            -0.296307918938             -3.34680191288
            3
          0.549160553236             0.163751308505              2.87196102381
          0.268105532565             0.291550614230           2.989785320233E-02
           17
            1
          0.573428000000
          -3.19950384900             -5.14235308162            -0.327581942292
            3
          0.549160553236             0.163751308505              2.87196102381
          0.260772074022             0.283575865174           2.908006080207E-02
           18
            1
          0.582735000000
          -6.47497071265             0.841087108503             -1.93976059354
            3
          0.549160553236             0.163751308505              2.87196102381
          0.265004524640             0.288178431803           2.955204355472E-02
           19
            1
          0.761126000000
           3.38111267909             -2.96633532167             0.413140637476
            3
          0.549160553236             0.163751308505              2.87196102381
          0.346129602342             0.376397671471           3.859872618365E-02
           20
            1
          0.727618000000
          0.771413063077             -1.00227387498              3.70267080723
            3
          0.549160553236             0.163751308505              2.87196102381
          0.330891506790             0.359827046928           3.689944627866E-02