$energy      SCF               SCFKIN            SCFPOT
     1 -822.0749302331      817.9169036953     -1639.991833928
     2 -822.0748152517      817.9031951508     -1639.978010402
     3 -822.0749614249      817.9202437119     -1639.995205137
     4 -822.0749742448      817.9240064557     -1639.998980700
     5 -822.0750073302      817.9314984679     -1640.006505798
     6 -822.0751358163      817.9635533974     -1640.038689214
     7 -822.0753307065      818.0103543383     -1640.085685045
     8 -822.0757325864      818.1064062844     -1640.182138871
     9 -822.0761967267      818.2611517713     -1640.337348498
    10 -822.0763353855      818.2739944651     -1640.350329851
    11 -822.0764139028      818.2568981305     -1640.333312033
    12 -822.0764489223      818.2464479660     -1640.322896888
    13 -822.0764664424      818.2674926157     -1640.343959058
    14 -822.0764732749      818.2704804857     -1640.346953761
    15 -822.0764782190      818.2694480646     -1640.345926284
    16 -822.0764806679      818.2721743449     -1640.348655013
    17 -822.0764821448      818.2715062784     -1640.347988423
    18 -822.0764835294      818.2703198038     -1640.346803333
    19 -822.0764847540      818.2701492839     -1640.346634038
    20 -822.0764860118      818.2706166794     -1640.347102691
    21 -822.0764872290      818.2722580485     -1640.348745277
    22 -822.0764878211      818.2731108134     -1640.349598634
    23 -822.0764883275      818.2735767258     -1640.350065053
    24 -822.0764888044      818.2732999826     -1640.349788787
    25 -822.0764890113      818.2729845318     -1640.349473543
    26 -822.0764893301      818.2724225602     -1640.348911890
    27 -822.0764897008      818.2720961381     -1640.348585839
    28 -822.0764900990      818.2718280892     -1640.348318188
    29 -822.0764904814      818.2716935560     -1640.348184037
    30 -822.0764919466      818.2717159151     -1640.348207862
    31 -822.0764947087      818.2721481850     -1640.348642894
    32 -822.0764963378      818.2721787471     -1640.348675085
    33 -822.0764986794      818.2710411198     -1640.347539799
    34 -822.0764996117      818.2700181715     -1640.346517783
    35 -822.0764998361      818.2701012417     -1640.346601078
    36 -822.0765003705      818.2706349481     -1640.347135319
    37 -822.0765010202      818.2712303280     -1640.347731348
    38 -822.0765015586      818.2713432003     -1640.347844759
    39 -822.0765021200      818.2713637852     -1640.347865905
    40 -822.0765028706      818.2714477323     -1640.347950603
    41 -822.0765036320      818.2719280822     -1640.348431714
    42 -822.0765040473      818.2724007673     -1640.348904815
    43 -822.0765043651      818.2728555734     -1640.349359938
    44 -822.0765048777      818.2734253810     -1640.349930259
    45 -822.0765056818      818.2736762597     -1640.350181942
    46 -822.0765075445      818.2734216768     -1640.349929221
    47 -822.0765104942      818.2723548509     -1640.348865345
    48 -822.0765121221      818.2713320037     -1640.347844126
    49 -822.0765162976      818.2718645031     -1640.348380801
    50 -822.0765257737      818.2718382816     -1640.348364055
    51 -822.0765313657      818.2726012106     -1640.349132576
    52 -822.0765378462      818.2737776936     -1640.350315540
    53 -822.0765398709      818.2755847003     -1640.352124571
    54 -822.0765406280      818.2738305581     -1640.350371186
    55 -822.0765411606      818.2731256495     -1640.349666810
    56 -822.0765414981      818.2731245565     -1640.349666055
    57 -822.0765416290      818.2728994948     -1640.349441124
    58 -822.0765417325      818.2732537562     -1640.349795489
    59 -822.0765417644      818.2732036358     -1640.349745400
    60 -822.0765417756      818.2736568165     -1640.350198592
    61 -822.0765418844      818.2733330587     -1640.349874943
$end
