15 
# (E)-pent-3-enoic acid (B3LYP) 
C   3.2997490  0.2758850 -0.1817770
C   1.9782770 -0.4229890 -0.2122110
H   3.2567870  1.1824150  0.4215570
H   3.6205200  0.5515370 -1.1895490
C   0.8840480 -0.0099790  0.4147050
C  -0.4247730 -0.7330400  0.3790080
H   0.9067440  0.9073710  0.9923220
H  -0.3961770 -1.5871280 -0.2983100
H  -0.6746500 -1.1415280  1.3656650
C  -1.5881860  0.1528070 -0.0036340
O  -1.5844780  1.3540570 -0.0439200
O  -2.6924850 -0.5819610 -0.2819440
H  -3.4017970  0.0425950 -0.4902360
H   1.9309210 -1.3364200 -0.8001140
H   4.0786640 -0.3717180  0.2290340
