File: RoosAugDZANO

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! Basis =Roos Augmented Double Zeta ANO                                        
!Elements                             References                                
!--------                             ----------                                
!H - Ne:  P.O. Widmark, P.A. Malmqvist, B. Roos, Theor. Chim. Acta, 77,         
!         291 (1990).                                                           
!Na - Ar: P.O. Widmark, B. J. Persson and B. Roos Theor. Chim. Acta, 79,        
!         419 (1991).                                                           
!Sc - Zn: R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.O. Widmark and B. Roos,   
!         Theor. Chim. Acta, 92, 149 (1995).
a 1
! HYDROGEN     (8s,4p) -> [3s,2p]                                
! s functions
    8    3   0
     188.6144500        0.9639000000E-03   -0.1311900000E-02    0.2422400000E-02
     28.27659600        0.7492000000E-02   -0.1034510000E-01    0.2033820000E-01
     6.424830000        0.3759540000E-01   -0.5049530000E-01    0.8963940000E-01
     1.815041000        0.1433950000       -0.2073855000        0.4422907000    
    0.5910630000        0.3486363000       -0.4350885000        0.5757144000    
    0.2121490000        0.4382974000       -0.2472970000E-01   -0.9802890000    
    0.7989100000E-01    0.1651066000        0.3225260000       -0.6721538000    
    0.2796200000E-01    0.2102290000E-01    0.7072754000         1.141768500    
! p functions
    4    2   0
     2.305000000        0.1127902000       -0.2108688000    
    0.8067500000        0.4185075000       -0.5943796000    
    0.2823620000        0.4700077000        0.8968890000E-01
    0.9882700000E-01    0.1826260000        0.8611634000    
a 6
! CARBON       (14s,9p,4d) -> [4s,3p,2d]                         
! s functions
   14    4   0
     50557.50100        0.5530000000E-04   -0.1200000000E-04    0.1190000000E-04                       -0.1560000000E-04
     7524.785600        0.4343000000E-03   -0.9400000000E-04    0.9270000000E-04                       -0.1140000000E-03
     1694.327600        0.2315900000E-02   -0.5028000000E-03    0.4989000000E-03                       -0.6731000000E-03
     472.8227900        0.9872900000E-02   -0.2147600000E-02    0.2118000000E-02                       -0.2532300000E-02
     151.7107500        0.3521950000E-01   -0.7794200000E-02    0.7778400000E-02                       -0.1090030000E-01
     53.91874600        0.1041938000       -0.2376340000E-01    0.2363280000E-01                       -0.2778070000E-01
     20.65931100        0.2412741000       -0.6002350000E-01    0.6163060000E-01                       -0.9587130000E-01
     8.383976000        0.3840174000       -0.1153985000        0.1189680000                           -0.1247806000    
     3.577015000        0.3082371000       -0.1539009000        0.1880621000                           -0.3932460000    
     1.547118000        0.6830550000E-01   -0.1459460000E-01   -0.5403040000E-01                        0.6796004000    
    0.6130130000        0.7782000000E-03    0.3895849000       -0.9814137000                             1.197869000    
    0.2460680000        0.9905000000E-03    0.5397291000       -0.1096758000                            -1.897952000    
    0.9908700000E-01   -0.8930000000E-04    0.1884060000        0.8847356000                           -0.4461400000E-02
    0.3468000000E-01    0.4710000000E-04    0.2585750000E-01    0.2964983000                             1.014214800    
! p functions
    9    3   0
     83.33315500        0.1224100000E-02   -0.1144400000E-02    0.1466900000E-02
     19.55761100        0.9438900000E-02   -0.8979600000E-02    0.1445530000E-01
     6.080365000        0.4177440000E-01   -0.3784560000E-01    0.4663730000E-01
     2.179317000        0.1318330000       -0.1292708000        0.2366537000    
    0.8651500000        0.2789119000       -0.3784022000        0.6088734000    
    0.3619440000        0.3668663000       -0.2692137000       -0.3917793000    
    0.1547400000        0.2790591000        0.2917542000       -0.8700229000    
    0.6542900000E-01    0.1380481000        0.5436698000        0.4200505000    
    0.2290000000E-01    0.3419500000E-01    0.2628308000        0.5799497000    
! d functions
    4    2   0
     1.900000000        0.9873120000E-01   -0.1455013000    
    0.6650000000        0.4529661000       -0.5076809000    
    0.2327500000        0.4362457000       -0.1015630000    
    0.8146300000E-01    0.2719250000        0.9251922000    
a 7
! NITROGEN     (14s,9p,4d) -> [4s,3p,2d]                         
! s functions
   14    4   0
     74761.71500        0.5020000000E-04   -0.1120000000E-04    0.9700000000E-05                       -0.1210000000E-04
     11123.65400        0.3946000000E-03   -0.8780000000E-04    0.7650000000E-04                       -0.9030000000E-04
     2512.685700        0.2088500000E-02   -0.4667000000E-03    0.4048000000E-03                       -0.5179000000E-03
     703.7772900        0.8907900000E-02   -0.1993100000E-02    0.1739800000E-02                       -0.2004600000E-02
     225.4787900        0.3208840000E-01   -0.7303300000E-02    0.6345600000E-02                       -0.8360000000E-02
     79.61581000        0.9744740000E-01   -0.2282590000E-01    0.2014050000E-01                       -0.2274400000E-01
     30.23728300        0.2317895000       -0.5922070000E-01    0.5240310000E-01                       -0.7448660000E-01
     12.26362200        0.3776911000       -0.1156121000        0.1066517000                           -0.1108600000    
     5.265086000        0.3187917000       -0.1565083000        0.1583388000                           -0.2983389000    
     2.333471000        0.8237820000E-01   -0.2310580000E-01   -0.5005100000E-02                        0.3212822000    
    0.9018560000        0.2790500000E-02    0.3756476000       -0.8418720000                             1.171029800    
    0.3583360000        0.2465000000E-03    0.5457653000       -0.1590563000                           -0.8649562000    
    0.1410930000       -0.2890000000E-04    0.2103543000        0.5912026000                            -1.223793000    
    0.4938300000E-01    0.9700000000E-05    0.1278950000E-01    0.5766053000                             1.444580500    
! p functions
    9    3   0
     126.6665700        0.1142300000E-02   -0.9565000000E-03    0.1420100000E-02
     29.83738900        0.8959100000E-02   -0.7576300000E-02    0.1254390000E-01
     9.394038000        0.4053750000E-01   -0.3369470000E-01    0.5099130000E-01
     3.405104000        0.1294901000       -0.1133437000        0.2057118000    
     1.350000000        0.2767808000       -0.3055498000        0.5452041000    
    0.5576960000        0.3688889000       -0.2733953000       -0.1522542000    
    0.2324490000        0.2934619000        0.2019252000       -0.8377166000    
    0.9426400000E-01    0.1284683000        0.4925344000        0.4965950000E-01
    0.3299200000E-01    0.3905860000E-01    0.4098012000        0.7459441000    
! d functions
    4    2   0
     2.750000000        0.1205306800       -0.1733321000    
    0.9625000000        0.5076068500       -0.4739903000    
    0.3368750000        0.4453955600        0.3678810000E-01
    0.1179060000        0.1587691700        0.8931612600    
a 8
! OXYGEN       (14s,9p,4d) -> [4s,3p,2d]                         
! s functions
   14    4   0
     105374.9500        0.4590000000E-04   -0.1050000000E-04    0.9000000000E-05                       -0.1090000000E-04
     15679.24000        0.3607000000E-03   -0.8250000000E-04    0.7050000000E-04                       -0.8220000000E-04
     3534.544700        0.1919800000E-02   -0.4412000000E-03    0.3757000000E-03                       -0.4675000000E-03
     987.3651600        0.8206700000E-02   -0.1886400000E-02    0.1614600000E-02                       -0.1846500000E-02
     315.9787500        0.2972570000E-01   -0.6954000000E-02    0.5934000000E-02                       -0.7558500000E-02
     111.6542800        0.9045580000E-01   -0.2172080000E-01    0.1878660000E-01                       -0.2108680000E-01
     42.69945100        0.2174054000       -0.5685130000E-01    0.4946830000E-01                       -0.6675110000E-01
     17.39559600        0.3687657000       -0.1139635000        0.1030399000                           -0.1093673000    
     7.438309000        0.3372798000       -0.1620201000        0.1620586000                           -0.2731431000    
     3.222862000        0.9675050000E-01   -0.3338000000E-01    0.9367000000E-03                        0.2097137000    
     1.253877000        0.2567400000E-02    0.3655068000       -0.8224251000                             1.203480700    
    0.4951550000        0.1374600000E-02    0.5520031000       -0.1017902000                           -0.6774694000    
    0.1916650000       -0.1410000000E-03    0.2236393000        0.4253939000                            -1.429884000    
    0.6708300000E-01    0.6830000000E-04    0.6574500000E-02    0.6877028000                             1.489106800    
! p functions
    9    3   0
     200.0000000        0.8933000000E-03   -0.8384000000E-03    0.1261800000E-02
     46.53336700        0.7369000000E-02   -0.6849100000E-02    0.1116280000E-01
     14.62180900        0.3493920000E-01   -0.3285050000E-01    0.5183160000E-01
     5.313064000        0.1152985000       -0.1100060000        0.1978845000    
     2.102525000        0.2583231000       -0.3135263000        0.5707652000    
    0.8502230000        0.3696231000       -0.3196011000       -0.1789291000    
    0.3375970000        0.3238789000        0.2217243000       -0.8982077000    
    0.1288920000        0.1467989000        0.5622616000        0.2666643000    
    0.4511200000E-01    0.3361270000E-01    0.3013251000        0.6258994000    
! d functions
    4    2   0
     3.750000000        0.1284934000       -0.2182055000    
     1.312500000        0.5211884000       -0.4817695000    
    0.4593750000        0.4345784000        0.1357595000    
    0.1607810000        0.1457409000        0.8297734000    
a 25
! MANGANESE    (21s,15p,10d,6f) -> [6s,5p,4d,2f]                 
! s functions
   21    6   0
     3960805.000        0.8700000000E-05   -0.2600000000E-05    0.1000000000E-05                       -0.2000000000E-06    0.4000000000E-06   -0.7000000000E-06
     593115.5000        0.6800000000E-04   -0.2050000000E-04    0.7500000000E-05                       -0.1800000000E-05    0.2800000000E-05   -0.5800000000E-05
     134976.8000        0.3574000000E-03   -0.1078000000E-03    0.3960000000E-04                       -0.9400000000E-05    0.1420000000E-04   -0.2880000000E-04
     38230.67000        0.1507100000E-02   -0.4553000000E-03    0.1675000000E-03                       -0.3980000000E-04    0.6220000000E-04   -0.1299000000E-03
     12471.54000        0.5457600000E-02   -0.1655200000E-02    0.6084000000E-03                       -0.1445000000E-03    0.2166000000E-03   -0.4351000000E-03
     4501.743000        0.1749970000E-01   -0.5357600000E-02    0.1974400000E-02                       -0.4699000000E-03    0.7407000000E-03   -0.1559000000E-02
     1755.212000        0.4993510000E-01   -0.1565660000E-01    0.5775300000E-02                       -0.1371200000E-02    0.2033700000E-02   -0.4042100000E-02
     727.3039000        0.1238807000       -0.4095100000E-01    0.1523350000E-01                       -0.3632200000E-02    0.5803300000E-02   -0.1236980000E-01
     316.3678000        0.2504969000       -0.9287230000E-01    0.3492020000E-01                       -0.8304900000E-02    0.1207350000E-01   -0.2356150000E-01
     143.0098000        0.3589592000       -0.1684245000        0.6548770000E-01                       -0.1572940000E-01    0.2604550000E-01   -0.5741360000E-01
     66.21805000        0.2759017000       -0.1891878000        0.7702400000E-01                       -0.1842520000E-01    0.2385160000E-01   -0.4110840000E-01
     29.91896000        0.6596040000E-01    0.4616510000E-01   -0.1954550000E-01                        0.4367300000E-02    0.4852900000E-02   -0.3230330000E-01
     14.30318000       -0.1237200000E-02    0.5147184000       -0.3005826000                            0.7696050000E-01   -0.1473013000        0.3776811000    
     6.839451000        0.1956300000E-02    0.5041849000       -0.4562535000                            0.1210388000       -0.1459495000        0.2609431000    
     3.012374000       -0.9071000000E-03    0.9186060000E-01    0.1202727000                           -0.3966160000E-01   -0.3547160000E-01   -0.5012000000E-02
     1.418808000        0.3975000000E-03   -0.2587000000E-02    0.7281293000                           -0.2631384000        0.7785170000        -2.432652000    
    0.6236240000       -0.1593000000E-03    0.2308000000E-02    0.4032453000                           -0.2629456000       -0.8070840000E-01     2.704484700    
    0.1340980000        0.6830000000E-04   -0.5992000000E-03    0.1779610000E-01                        0.4329907000        -2.046530000       -0.1886359000    
    0.6554800000E-01   -0.6470000000E-04    0.5684000000E-03   -0.1018190000E-01                        0.5464339000         1.230539600        -1.984475000    
    0.2958400000E-01    0.3130000000E-04   -0.2737000000E-03    0.4003700000E-02                        0.1906748000        0.5446708000         1.810692300    
    0.1183400000E-01   -0.7900000000E-05    0.6890000000E-04   -0.9240000000E-03                       -0.2215000000E-03    0.8868420000E-01   -0.1521510000    
! p functions
   15    5   0
     7048.271000        0.1784000000E-03   -0.6390000000E-04    0.1760000000E-04                       -0.3520000000E-04    0.3830000000E-04
     1669.678000        0.1566800000E-02   -0.5610000000E-03    0.1560000000E-03                       -0.3059000000E-03    0.3235000000E-03
     541.8571000        0.8715400000E-02   -0.3146500000E-02    0.8697000000E-03                       -0.1736100000E-02    0.1886200000E-02
     206.4295000        0.3571610000E-01   -0.1303980000E-01    0.3632800000E-02                       -0.7122100000E-02    0.7529700000E-02
     86.89334000        0.1112153000       -0.4192160000E-01    0.1162420000E-01                       -0.2325950000E-01    0.2535640000E-01
     39.06309000        0.2516051000       -0.9857340000E-01    0.2770210000E-01                       -0.5418060000E-01    0.5694880000E-01
     18.24725000        0.3812308000       -0.1596252000        0.4470710000E-01                       -0.9199500000E-01    0.1035302000    
     8.741289000        0.3102902000       -0.1150729000        0.3304800000E-01                       -0.6717710000E-01    0.7872650000E-01
     4.119332000        0.8812070000E-01    0.1770515000       -0.6260660000E-01                        0.1377723000       -0.1922694000    
     1.914804000        0.3599000000E-02    0.4773779000       -0.1610873000                            0.4688822000       -0.6913723000    
    0.8578930000        0.1452100000E-02    0.4126450000       -0.1769052000                            0.1020817000        0.6148777000    
    0.3549500000       -0.3342000000E-03    0.9948660000E-01    0.1209127000                            -1.045961000        0.9207736000    
    0.1419800000        0.2060000000E-03   -0.1597800000E-02    0.6442919000                           -0.6945110000E-01    -1.515377000    
    0.5679200000E-01   -0.9730000000E-04    0.2678300000E-02    0.3582730000                            0.6881997000        0.3682492000    
    0.2271700000E-01    0.3030000000E-04   -0.7155000000E-03    0.1972490000E-01                        0.1821433000        0.7016079000    
! d functions
   10    4   0
     199.8357000        0.8689000000E-03   -0.6141000000E-03    0.1245300000E-02                       -0.1443500000E-02
     59.72176000        0.7405500000E-02   -0.5172300000E-02    0.1084020000E-01                       -0.1243060000E-01
     22.74772000        0.3343540000E-01   -0.2375470000E-01    0.4918380000E-01                       -0.5807330000E-01
     9.565003000        0.1022231000       -0.7263280000E-01    0.1600817000                           -0.1953527000    
     4.285499000        0.2176382000       -0.1584041000        0.3201419000                           -0.3745566000    
     1.950975000        0.3138865000       -0.2022489000        0.2665074000                            0.4875240000E-01
    0.8727960000        0.3226514000       -0.1223759000       -0.2815251000                            0.7802224000    
    0.3756210000        0.2489774000        0.1954530000       -0.5757098000                           -0.1124107000    
    0.1480090000        0.1155548000        0.3978832000       -0.7034260000E-01                        -1.104248000    
    0.5920400000E-01    0.3978050000E-01    0.5143697000        0.6737332000                            0.9709894000    
! f functions
    6    2   0
     9.541300000        0.3498520000E-01   -0.8024420000E-01
     3.781800000        0.1597661000       -0.3483093000    
     1.499000000        0.3964869000       -0.4783902000    
    0.5941000000        0.4551561000        0.2256018000    
    0.2355000000        0.2397760000        0.5299708000    
    0.9330000000E-01    0.5663870000E-01    0.1921441000