Revision: 20225
http://sourceforge.net/p/jmol/code/20225
Author: hansonr
Date: 2015-01-21 13:48:39 +0000 (Wed, 21 Jan 2015)
Log Message:
-----------
fixed bad unicode
Modified Paths:
--------------
trunk/Jmol-datafiles/zmatrix/ch2chfme_reagent.inp
Modified: trunk/Jmol-datafiles/zmatrix/ch2chfme_reagent.inp
===================================================================
--- trunk/Jmol-datafiles/zmatrix/ch2chfme_reagent.inp 2015-01-21 13:48:13 UTC
(rev 20224)
+++ trunk/Jmol-datafiles/zmatrix/ch2chfme_reagent.inp 2015-01-21 13:48:39 UTC
(rev 20225)
@@ -1,39 +1,39 @@
-\xFF\xFE#--------------------------------------\ No newline at end of file
+#p B3lyp/6-31+G* OPT=(Z-matrix,NOEIGEN) OPTCYC=99
+
+file desc
+
+-1,1
+C
+F,1,R1
+H,1,R2,2,A1
+H,1,R3,2,A2,3,D1,0
+H,1,R4,2,A3,3,D2,0
+X,1,1.,2,90.,4,180.,0
+C,1,R7,6,90.,2,180.,0
+C,7,R8,1,A8,6,D8,0
+H,7,R9,1,A9,6,D9,0
+H,8,R11,7,A11,9,D11,0
+H,8,R12,7,A12,9,D12,0
+
+R1=1.44868691
+R2=1.0887566
+R3=1.08776457
+R4=1.08865415
+R7=3.1552638
+R8=1.36094313
+R9=1.1195312
+R11=1.11183832
+R12=1.10163738
+A1=108.28552764
+A2=108.19984821
+A3=108.33129004
+A8=116.27711426
+A9=134.93938069
+A11=126.621968
+A12=121.49472987
+D1=-119.80648962
+D2=120.35135143
+D8=-7.5641777
+D9=171.13852887
+D11=0.01455725
+D12=180.00164077
\ No newline at end of file
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