Is there a way to easily extract all the structures and energies from an ADMP calculation done in Gaussian 09? GaussView can plot them but not export them in a useful way and babel just gives me the last structure in there.
I tried
babel <G09output> all -oxyz <output.xyz>
but I get just
==============================
*** Open Babel Error in OpenAndSetFormat
Cannot open all
1 molecule converted
1 errors 16 audit log messages
Or is there a different easy way to do this? Otherwise I guess I have to write my own script or look into cclib, but that one is using babel too if I understand it correct?
Example output file: http://dl.dropboxusercontent.com/u/6111391/Tz_TCO_dyn6.txt
Input:
%nprocshared=16
%mem=56GB
%chk=Tz_TCO_dyn6.chk
# 6-31g(d) scrf=check geom=(connectivity,crowd)admp=(stepsize=2500,maxpoints=400) rm062x IOp(1/44=990210)
[No Title]
0 1
C 1.08049600 -0.58720100 -2.07918800
C -1.08049600 0.58720100 -2.07918800
C -0.58945000 0.34949100 0.13978700
H -0.52250100 1.43457800 0.23933400
C 0.58945000 -0.34949100 0.13978700
H 0.52250100 -1.43457800 0.23933400
N -1.13318600 -0.73433600 -2.39136300
N 0.00078600 -1.35005000 -2.39250200
N -0.00078600 1.35005000 -2.39250200
N 1.13318600 0.73433600 -2.39136300
C 1.84657900 0.28440600 0.66016000
H 2.75382900 -0.14516700 0.22100400
H 1.84124500 1.35503200 0.42328200
C -1.84657900 -0.28440600 0.66016000
H -2.75382900 0.14516700 0.22100400
H -1.84124500 -1.35503200 0.42328200
C 1.87373600 0.08444000 2.19307200
H 2.72499800 0.64701600 2.59375900
H 2.07520100 -0.97273600 2.41061700
C -1.87373600 -0.08444000 2.19307200
H -2.72499800 -0.64701600 2.59375900
H -2.07520100 0.97273600 2.41061700
C -0.58945000 -0.50859700 2.93023900
H -0.86607100 -0.70606500 3.97132400
H -0.24860000 -1.47389400 2.53270700
C 0.58945000 0.50859700 2.93023900
H 0.86607100 0.70606500 3.97132400
H 0.24860000 1.47389400 2.53270700
H 2.02862900 -1.10167200 -1.96939700
H -2.02862900 1.10167200 -1.96939700
1 8 1.5 10 1.5 29 1.0
2 7 1.5 9 1.5 30 1.0
3 4 1.0 5 2.0 14 1.0
4
5 6 1.0 11 1.0
6
7 8 1.5
8
9 10 1.5
10
11 12 1.0 13 1.0 17 1.0
12
13
14 15 1.0 16 1.0 20 1.0
15
16
17 18 1.0 19 1.0 26 1.0
18
19
20 21 1.0 22 1.0 23 1.0
21
22
23 24 1.0 25 1.0 26 1.0
24
25
26 27 1.0 28 1.0
27
28
29
30