    53
2a                           E= -1703.9910728 a.u.
Re     -2.05460800     -1.07530400      0.08984100
P       1.62485700      0.25841600     -0.03740100
N      -3.52040100      0.29255000      0.32269600
H      -4.44057300     -0.04071800      0.57322600
O      -1.72919200     -1.49655000     -1.54665200
C       0.20539800      1.29643600     -0.30562300
H       0.54258000      2.31335800     -0.50260700
O      -3.26710100     -2.16097600      0.69503400
O      -0.65265600     -1.33360700      1.08878800
C       3.00696700      1.21880100     -0.76612300
C       1.62941200     -1.35872500     -0.85279900
C      -1.11415800      1.00780800     -0.24939400
C       1.15189200      0.35072600      2.72589200
H       0.13073000      0.58354500      2.46330800
C      -2.11678600      2.05697300     -0.37969300
C      -1.93118500      3.39068500     -0.75947500
H      -0.94685000      3.73464500     -1.05691400
C       4.81286900      1.50475100     -2.34529000
H       5.40963500      1.11437400     -3.16072900
C       1.18189600     -1.44130900     -2.17329700
H       0.75952000     -0.57320600     -2.66183200
C      -3.41029500      1.61703900     -0.02407500
C       3.28058300      2.49078900     -0.24839400
H       2.70114500      2.87930200      0.58066700
C       2.08762400      0.10911500      1.72061500
C      -4.48318200      2.51822400     -0.03467600
H      -5.47524800      2.18056400      0.24349300
C      -2.99582000      4.27732700     -0.78519400
H      -2.84633900      5.30437600     -1.09426300
C       2.11742600     -2.49807300     -0.21029600
H       2.42357200     -2.45253300      0.82559200
C       3.78481400      0.73028600     -1.81556200
H       3.59204300     -0.25205000     -2.22462700
C       3.40753300     -0.20470400      2.06221400
H       4.14901300     -0.37231800      1.29057400
C       5.07205500      2.76885200     -1.83327700
H       5.87219300      3.37010900     -2.24803400
C       1.53340400      0.27148700      4.05962500
H       0.80120300      0.45757000      4.83566700
C       1.75011300     -3.77996800     -2.21640800
H       1.79115200     -4.72507700     -2.74462100
C      -4.26802600      3.83323300     -0.41468900
H      -5.10339000      4.52425900     -0.43081200
C       1.24763900     -2.65128300     -2.85156800
H       0.88225700     -2.71333700     -3.86877700
C       2.84212700     -0.05321900      4.39680000
H       3.13404600     -0.11665700      5.43836900
C       2.17862000     -3.70354000     -0.89499700
H       2.54791800     -4.58768100     -0.38999100
C       3.77943800     -0.29238000      3.39704100
H       4.80209400     -0.53968800      3.65484800
C       4.30390000      3.26071800     -0.78177500
H       4.50494300      4.24364700     -0.37329700





