mkcrd.pl - Simple Perl code to extract Gaussian archive
Download
Example(How to use)
% mkcrd.pl < test.log > test.com
Source Code
#!/usr/bin/perl --
while(<>){/^\s1\\1\\/&&$x++;if($x){s/^\s//;s/\n$//;$a.=$_;}/\@$/&&last;}$\="\n";$_=$a;s/\\{2}\@$//;foreach(split/\\/){if(/^\s*$/){$y++&&print;}elsif($y==3){split/,/;printf($z++?"%-2s %16.10f %16.10f %16.10f\n":"%d %d\n",@_);}elsif($y){print;}} 
Results
tail of test.log
 1\1\GINC-NAGATO04\FOpt\RB3LYP\6-31G(d)\C7H12N1O1(1+)\PCUSER\17-Nov-200
 7\0\\# 6d B3LYP/6-31G* opt optcyc=200 nosym\\Title for Gaussian98\\1,1
 \C,2.4955818841,0.0202415116,-0.5090771213\C,0.5103496967,-0.039473111
 1,0.7421050366\H,3.2797537785,0.139444892,0.262501106\H,2.9127425023,0
 .3368598007,-1.4696633414\H,0.8359050511,0.0515231888,1.8062736444\H,-
 0.5678900095,0.1622151392,0.7226333666\N,1.2696614529,0.7637552367,-0.
 2056019311\C,1.4574409639,2.1582641574,0.1786644501\H,2.0336851049,2.2
 709041152,1.1135455243\H,1.9836456675,2.6823230254,-0.6235560635\H,0.4
 813086653,2.6342335714,0.3077072943\C,2.0041417496,-1.4288568981,-0.51
 50475099\C,0.8446053571,-1.4262036214,0.3177820822\O,0.1199156364,-2.4
 15162899,0.7205096415\C,1.9667853532,-2.319384516,-1.8163232928\C,2.88
 93791271,-2.6696972915,-0.7305993717\H,2.3338192739,-1.795970312,-2.69
 39323957\H,1.0691220929,-2.9103178685,-1.979217757\H,3.9449108047,-2.4
 33416992,-0.8360183514\H,2.6913246821,-3.5456764273,-0.115363175\H,0.4
 505200451,-3.2937536017,0.4406170246\\Version=AM64L-G03RevD.02\HF=-403
 .6312715\RMSD=7.653e-09\RMSF=2.024e-05\Thermal=0.\Dipole=0.1921628,-1.
 4302975,0.0380695\PG=C01 [X(C7H12N1O1)]\\@
test.com
# 6d B3LYP/6-31G* opt optcyc=200 nosym

Title for Gaussian98

1 1
C     2.4955818841     0.0202415116    -0.5090771213
C     0.5103496967    -0.0394731111     0.7421050366
H     3.2797537785     0.1394448920     0.2625011060
H     2.9127425023     0.3368598007    -1.4696633414
H     0.8359050511     0.0515231888     1.8062736444
H    -0.5678900095     0.1622151392     0.7226333666
N     1.2696614529     0.7637552367    -0.2056019311
C     1.4574409639     2.1582641574     0.1786644501
H     2.0336851049     2.2709041152     1.1135455243
H     1.9836456675     2.6823230254    -0.6235560635
H     0.4813086653     2.6342335714     0.3077072943
C     2.0041417496    -1.4288568981    -0.5150475099
C     0.8446053571    -1.4262036214     0.3177820822
O     0.1199156364    -2.4151628990     0.7205096415
C     1.9667853532    -2.3193845160    -1.8163232928
C     2.8893791271    -2.6696972915    -0.7305993717
H     2.3338192739    -1.7959703120    -2.6939323957
H     1.0691220929    -2.9103178685    -1.9792177570
H     3.9449108047    -2.4334169920    -0.8360183514
H     2.6913246821    -3.5456764273    -0.1153631750
H     0.4505200451    -3.2937536017     0.4406170246

Version=AM64L-G03RevD.02
HF=-403.6312715
RMSD=7.653e-09
RMSF=2.024e-05
Thermal=0.
Dipole=0.1921628,-1.4302975,0.0380695
PG=C01 [X(C7H12N1O1)]