1 416164 8 80 1 3 1000.0000 7 0 0 p 5 f 0 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p5 e= -272863.54556 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 4f e= -271451.00365 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 5f e= -271192.41865 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 6f e= -271051.93474 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 7f e= -270967.51476 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 8f e= -270912.94802 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 9f e= -270875.67856 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 10f e= -270849.10848 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 11f e= -270829.50572 p 4 f 1 h 0 k 0 s 0 s 0 s 0 s 0 fe x s2p4 12f e= -270814.62538 p 4 f 0 h 1 k 0 s 0 s 0 s 0 s 0 fe x s2p4 6h e= -271042.45976 p 4 f 0 h 1 k 0 s 0 s 0 s 0 s 0 fe x s2p4 7h e= -270961.46303 p 4 f 0 h 1 k 0 s 0 s 0 s 0 s 0 fe x s2p4 8h e= -270908.85620 p 4 f 0 h 1 k 0 s 0 s 0 s 0 s 0 fe x s2p4 9h e= -270872.79000 p 4 f 0 h 0 k 1 s 0 s 0 s 0 s 0 fe x s2p4 8k e= -270908.57425 p 4 f 0 h 0 k 1 s 0 s 0 s 0 s 0 fe x s2p4 9k e= -270872.58824 p 4 g 1 i 0 s 0 s 0 s 0 s 0 s 0 fe x s2p4 5g e= -271179.02607 p 4 g 1 i 0 s 0 s 0 s 0 s 0 s 0 fe x s2p4 6g e= -271043.65494 p 4 g 1 i 0 s 0 s 0 s 0 s 0 s 0 fe x s2p4 7g e= -270962.17941 p 4 g 1 i 0 s 0 s 0 s 0 s 0 s 0 fe x s2p4 8g e= -270909.33960 p 4 g 1 i 0 s 0 s 0 s 0 s 0 s 0 fe x s2p4 9g e= -270873.13583 p 4 g 0 i 1 s 0 s 0 s 0 s 0 s 0 fe x s2p4 7i e= -270961.13334 p 4 g 0 i 1 s 0 s 0 s 0 s 0 s 0 fe x s2p4 8i e= -270908.64633 p 4 g 0 i 1 s 0 s 0 s 0 s 0 s 0 fe x s2p4 9i e= -270872.64761 e x s2p5 fe x s2p5 -0.70169( 3p//r2// 3p) e x s2p5 fe x s2p4 4f -0.93380( 3p//r2// 4f) e x s2p5 fe x s2p4 5f -0.37857( 3p//r2// 5f) e x s2p5 fe x s2p4 6f -0.21123( 3p//r2// 6f) e x s2p5 fe x s2p4 7f -0.13983( 3p//r2// 7f) e x s2p5 fe x s2p4 8f -0.10196( 3p//r2// 8f) e x s2p5 fe x s2p4 9f -0.07901( 3p//r2// 9f) e x s2p5 fe x s2p4 10f -0.06380( 3p//r2//10f) e x s2p5 fe x s2p4 11f -0.05308( 3p//r2//11f) e x s2p5 fe x s2p4 12f -0.04515( 3p//r2//12f) e x s2p5 fe x s2p4 6h 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