This file is a README file to be used for guidance with respects to the datafiles present in this folder.


!!! FIGURE 2 !!!

Figure_2_a.dat contains the data for Figure 2.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll TS-BFGS

!!! FIGURE 2 !!!

Figure_2_b.dat contains the data for Figure 2.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 4 !!!

Figure_4_a.dat contains the data for Figure 4.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 4 !!!

Figure_4_b.dat contains the data for Figure 4.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 6 !!!

Figure_6_a.dat contains the data for Figure 6.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 6 !!!

Figure_6_b.dat contains the data for Figure 6.
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 7 !!!

Figure_7_a.dat contains the data for Figure 7 part a
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

Figure_7_b.dat contains the data for Figure 7 part b
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

Figure_7_c.dat contains the data for Figure 7 part c
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 8 !!!

Figure_8_a.dat contains the data for Figure 8 part a
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS 

Figure_8_b.dat contains the data for Figure 8 part b
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

Figure_8_c.dat contains the data for Figure 8 part c
The following, in order, is what the columns represent:

Time(fs)  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 9 !!!
Figure_9.dat contains the data for Figure 9
The following, in order, is what the columns represent:

						 Wavenumber (cm^-1)-
Normal mode  standard approach  SR1  PSB  Bofll  TS-BFGS

!!! FIGURE 10 !!!
Figure_10_a.dat contains the data for Figure 10 part a
The following, in order, is what the columns represent:

									Curvature coupling
Reaction Coordinate, s  standard approach  SR1  PSB  Bofll  TS-BFGS


Figure_10_b.dat contains the data for Figure 10 part b
The following, in order, is what the columns represent:

									Coriolis coupling
Reaction Coordinate, s  standard approach  SR1  PSB  Bofll  TS-BFGS

Figure_10_c.dat contains the data for Figure 10 part c
The following, in order, is what the columns represent:

									Curvature coupling
Reaction Coordinate, s  standard approach  SR1  PSB  Bofll  TS-BFGS


Figure_10_d.dat contains the data for Figure 10 part d
The following, in order, is what the columns represent:

									Coriolis coupling
Reaction Coordinate, s  standard approach  SR1  PSB  Bofll  TS-BFGS