46
Energy =
C    -0.8508938    1.7865976   -0.8176732 
C    -2.2029505    2.0659847   -0.9276195 
C    -2.8712363    1.7925658   -2.1457836 
C    -2.2213765    1.2398727   -3.2118712 
C    -0.8407926    0.9512275   -3.1395094 
C    -0.1346361    1.2491000   -1.9337319 
C    -0.1520951    0.3801222   -4.2372926 
C     1.1886643    0.1119549   -4.1717073 
C     1.9021914    0.4319008   -2.9995840 
C     1.2623475    0.9871101   -1.9215960 
C    -3.0082061    2.6356714    0.2147636 
C    -0.1578986    1.9836558    0.5254219 
N     0.3854500    0.7165854    1.0361887 
C     0.8822349    3.0747180    0.6001205 
C     1.1119963    3.9951168   -0.3259220 
C    -0.3750660   -0.1379111    1.7627100 
C     0.2217651   -1.4987418    2.0218552 
O    -1.4742536    0.1476211    2.2106590 
C    -0.2152204   -2.1806352    3.1564212 
C     0.2852532   -3.4429851    3.4224219 
C     1.1967157   -4.0725252    2.5899103 
C     1.5995405   -3.3806779    1.4622138 
C     1.1300918   -2.1096199    1.1618092 
N    -0.1699835   -4.1573511    4.6407397 
O     0.2776512   -5.2753247    4.8329260 
O    -0.9589186   -3.5796083    5.3671173 
N     2.5661845   -4.0220982    0.5402071 
O     2.9319224   -3.3741868   -0.4272119 
O     2.9356915   -5.1512921    0.8099440 
H    -3.9284624    2.0142762   -2.2187367 
H    -2.7569331    1.0176203   -4.1265471 
H    -0.7120261    0.1588099   -5.1374493 
H     1.7037923   -0.3285999   -5.0146581 
H     2.9677754    0.2504439   -2.9532753 
H     1.8571384    1.2815277   -1.0705500 
H    -3.0215942    1.9525095    1.0660876 
H    -2.6010327    3.5876362    0.5609800 
H    -4.0378364    2.8114294   -0.0917120 
H    -0.9173091    2.2439531    1.2594428 
H     1.2589156    0.3926031    0.6624237 
H     1.4268687    3.1022324    1.5392110 
H     1.8395784    4.7788310   -0.1647480 
H     0.5861785    3.9954090   -1.2719602 
H    -0.9428121   -1.7245800    3.8099400 
H     1.5715386   -5.0587795    2.8092656 
H     1.4620482   -1.6421695    0.2463592 
