15 
# (S)-β-valerolactone (B3LYP) 
C  -0.3823480  0.1862610  0.5213410
C   0.4307670 -1.0707650  0.1764520
C  -1.5393280  0.5559590 -0.3725910
C   1.5681280 -0.0848300 -0.0552920
H   0.6130220 -1.7773160  0.9822410
H   0.1192820 -1.6040050 -0.7195530
O   0.8136990  1.0163250  0.2558820
H  -0.6415920  0.2760970  1.5760310
C  -2.7547570 -0.3336630 -0.1204790
H  -1.2182590  0.4793650 -1.4143330
H  -1.7937550  1.6032020 -0.1972830
O   2.7105110 -0.1173580 -0.3752690
H  -2.5247800 -1.3838960 -0.3084290
H  -3.5822970 -0.0544920 -0.7714700
H  -3.1000720 -0.2484610  0.9113090
