42
E = -960.136228498
O         -2.53430       -2.82713       -0.79939
C         -1.80894       -1.92733       -0.44669
O         -0.67926       -1.69067       -1.19412
C         -2.06826       -1.03200        0.74972
C          0.31815       -0.71185       -0.90404
H         -1.52674       -1.51114        1.58286
C         -3.55512       -0.99725        1.10052
C         -1.45237        0.36190        0.54506
H          0.40934       -0.14852       -1.84617
O          1.50425       -1.46886       -0.68398
C          0.05520        0.22204        0.29407
H         -4.15412       -0.56536        0.28740
H         -3.92918       -2.01141        1.28173
H         -3.71256       -0.39500        2.00702
H         -1.54565        0.90570        1.49780
C         -2.15478        1.16875       -0.56921
C          2.48561       -0.87206        0.13723
O          0.50185       -0.48102        1.46665
C          0.77893        1.59719        0.15879
H         -2.56787        0.48113       -1.32394
H         -3.01918        1.68017       -0.12283
C         -1.23712        2.18900       -1.26144
O          1.96305       -0.59952        1.48048
C          3.57043       -1.91353        0.34438
C          3.04931        0.44848       -0.40974
H          1.11481        1.82766        1.18239
C         -0.15803        2.74185       -0.32412
C          2.01694        1.52932       -0.75234
H         -1.83741        3.01414       -1.67391
H         -0.74434        1.71653       -2.12707
H          4.08462       -2.11550       -0.60450
H          3.11448       -2.83787        0.71754
H          4.30262       -1.55110        1.07750
H          3.66397        0.22666       -1.29563
H          3.73369        0.82080        0.36762
H          0.46932        3.42736       -0.91936
C         -0.74375        3.57259        0.82282
H          2.51349        2.51117       -0.71711
H          1.68600        1.41191       -1.79708
H         -1.34252        4.40792        0.42941
H          0.05805        3.99710        1.44457
H         -1.39277        2.98268        1.48462
