15 
# (E)-pent-2-enoic acid (B3LYP) 
C   0.3252970 -0.5444650 -0.1063680
C  -0.7701500  0.1736560 -0.3457270
C   1.6435520  0.1016850  0.0205310
C  -2.1500510 -0.3748460 -0.4774330
H  -0.6553180  1.2499030 -0.4375560
H   0.2913650 -1.6203950  0.0028760
O   2.6190840 -0.8116150  0.2633670
O   1.8777130  1.2825710 -0.0704870
C  -3.1074120  0.2147630  0.5660870
H  -2.1298680 -1.4632470 -0.3999830
H  -2.5269730 -0.1331960 -1.4766500
H   3.4485500 -0.3191030  0.3344540
H  -3.1486350  1.3022050  0.4902110
H  -2.7839420 -0.0374930  1.5761550
H  -4.1169740 -0.1710790  0.4249170
