42
E = -960.142110475
O         -3.37483       -1.83161       -0.80460
C         -2.42346       -1.17469       -0.44449
O         -1.20777       -1.42794       -1.01660
C         -2.49076       -0.15877        0.68974
C         -0.06969       -0.52927       -0.91097
H         -2.31281       -0.78303        1.58341
C         -3.88989        0.44566        0.80430
C         -1.35963        0.87806        0.66369
H         -0.19032        0.19809       -1.72439
O          1.06173       -1.26860       -1.21389
C         -0.00095        0.18832        0.44453
H         -4.16327        1.01320       -0.09566
H         -4.63494       -0.34810        0.93018
H         -3.94331        1.12166        1.67032
H         -1.31921        1.36022        1.65616
C         -1.53438        1.97958       -0.40192
C          1.82719       -1.68421       -0.05299
O          0.16153       -0.77572        1.49418
C          1.12295        1.24856        0.56468
H         -1.74603        1.51495       -1.37961
H         -2.43234        2.56501       -0.15721
C         -0.33574        2.93371       -0.51521
O          0.97202       -1.96132        1.03770
C          2.40615       -3.05183       -0.38753
C          2.91832       -0.62957        0.18886
H          0.83689        1.83826        1.45717
C          1.04935        2.25912       -0.59632
C          2.46842        0.61347        0.95466
H         -0.32248        3.58875        0.37479
H         -0.48085        3.59830       -1.38148
H          3.04166       -2.94899       -1.27721
H          1.59232       -3.75188       -0.60808
H          3.01001       -3.42950        0.44639
H          3.31019       -0.37118       -0.80668
H          3.74268       -1.10202        0.74462
H          1.14794        1.73213       -1.56096
C          2.14988        3.31838       -0.53522
H          2.38229        0.33408        2.01390
H          3.26110        1.37417        0.90710
H          1.98955        4.08665       -1.30596
H          3.14729        2.88834       -0.70015
H          2.15572        3.82329        0.44416
