40
Energy =
C    -2.0244716   -0.0541527   -1.0080712 
C    -3.2562620   -0.0721632   -0.3623432 
C    -3.9514572   -1.2639140   -0.1893450 
C    -3.4342187   -2.4732110   -0.6507968 
C    -2.1978444   -2.4497175   -1.3006394 
C    -1.5050992   -1.2609535   -1.4769210 
C    -4.1654580   -3.7697701   -0.4269341 
C    -1.2686221    1.2483581   -1.1865815 
N     0.0875495    1.1587713   -0.6306963 
C    -1.1810398    1.7579527   -2.6058535 
C    -1.7590008    1.2223305   -3.6727088 
C     0.3893749    1.5729495    0.6255180 
O    -0.3853092    2.1832062    1.3424488 
C     1.7760466    1.2399602    1.1173995 
C     2.3370143    2.0817275    2.0770109 
C     3.5879295    1.7847628    2.5888577 
C     4.3032406    0.6623716    2.2021516 
C     3.7167344   -0.1623147    1.2599818 
C     2.4710797    0.1060171    0.7101911 
N     4.4401296   -1.3812120    0.8283398 
O     5.5187373   -1.6084801    1.3465449 
O     3.9073627   -2.0766751   -0.0217787 
N     4.1899960    2.6929704    3.5964898 
O     5.2709406    2.3738141    4.0615521 
O     3.5649574    3.6966016    3.8898596 
H    -3.6742826    0.8521019    0.0172607 
H    -4.9080348   -1.2520703    0.3188388 
H    -1.7742758   -3.3741955   -1.6742614 
H    -0.5538778   -1.2750796   -1.9952550 
H    -5.2423479   -3.6145005   -0.3594419 
H    -3.9733920   -4.4799195   -1.2316464 
H    -3.8440240   -4.2404886    0.5059635 
H    -1.7629432    2.0136503   -0.5854833 
H     0.7894633    0.7032210   -1.1878554 
H    -0.5939292    2.6656523   -2.7094733 
H    -1.6559784    1.6793140   -4.6476705 
H    -2.3570838    0.3230923   -3.6088200 
H     1.7905368    2.9467701    2.4201654 
H     5.2703754    0.4390411    2.6219827 
H     2.0574837   -0.5958183    0.0020198 
