   78
scf done: -2045.963780
 C    -8.160773     1.562676    -0.637587
 C    -8.277634     0.240936    -0.359630
 C    -9.563816    -0.370221     0.248673
 C   -10.708736     0.663985     0.288321
 C   -10.246066     2.043459     0.733832
 C    -9.222769     2.569500    -0.262972
 C    -7.204958    -0.724616    -0.612932
 C    -5.881932    -0.543105    -0.398856
 C    -4.848251    -1.528150    -0.630578
 C    -5.232491    -2.874718    -1.179303
 C   -10.062597    -1.563607    -0.596379
 C    -9.263786    -0.875825     1.676509
 C    -7.007462     2.188493    -1.378729
 C    -3.556452    -1.177134    -0.333015
 C    -2.392066    -1.981751    -0.469689
 C    -1.138921    -1.537869    -0.157043
 C     0.066570    -2.301880    -0.260437
 C    -0.004816    -3.727403    -0.737368
 C     1.247035    -1.679452     0.090407
 C     2.521800    -2.276210     0.075719
 N     3.615579    -1.640721     0.399871
 C     4.947394    -2.243642     0.439376
 C     5.487610    -2.339287     1.868606
 C     6.894655    -2.940859     1.913741
 C     7.450027    -3.035176     3.334943
 O     3.139517     1.034962     1.117131
 C     3.430976     2.170521     0.723070
 O     4.347714     2.553685    -0.044177
 C     2.538887     3.349582     1.238851
 F     3.273212     4.246935     1.932424
 F     1.967044     4.010853     0.207257
 F     1.545455     2.938631     2.046042
 H   -11.143381     0.750235    -0.713863
 H   -11.500246     0.283881     0.940084
 H    -9.801298     1.992033     1.731890
 H   -11.093636     2.729850     0.803790
 H    -8.723427     3.462706     0.128802
 H    -9.728051     2.902137    -1.179938
 H    -9.406185    -2.432497    -0.532219
 H   -10.166588    -1.287592    -1.648360
 H   -11.044483    -1.877692    -0.233565
 H    -8.451161    -1.605193     1.672263
 H   -10.147303    -1.359501     2.101826
 H    -8.970606    -0.059526     2.339328
 H    -6.411580     1.468164    -1.934706
 H    -6.339089     2.723708    -0.695622
 H    -7.390904     2.936055    -2.079713
 H    -7.524349    -1.705190    -0.945765
 H    -5.539556     0.402651     0.006155
 H    -3.395585    -0.173901     0.052109
 H    -2.508872    -2.993634    -0.837155
 H    -1.033022    -0.519536     0.204482
 H     1.204693    -0.645251     0.413963
 H     2.647481    -3.314187    -0.208604
 H    -4.382312    -3.540978    -1.296094
 H    -5.710711    -2.769403    -2.156144
 H    -5.953253    -3.366818    -0.521614
 H     0.964698    -4.214148    -0.782216
 H    -0.442187    -3.770674    -1.736883
 H    -0.644083    -4.317469    -0.077666
 H     3.544144    -0.642247     0.661634
 H     4.885983    -3.231327    -0.019166
 H     5.606202    -1.625620    -0.173353
 H     5.499716    -1.340532     2.315036
 H     4.803369    -2.947126     2.468517
 H     6.876805    -3.937902     1.461529
 H     7.566582    -2.335126     1.298114
 H     8.452187    -3.468520     3.337357
 H     7.512387    -2.048005     3.799480
 H     6.814517    -3.661042     3.966762
 H     5.319320     1.636902    -0.606120
 O     5.991955     0.970292    -1.074305
 C     7.221726     1.399291    -1.103391
 O     7.682341     2.417756    -0.649214
 C     8.132731     0.383000    -1.856750
 F     8.047338    -0.848868    -1.311258
 F     7.768944     0.279963    -3.151228
 F     9.415475     0.758106    -1.819155
