Differences

This shows you the differences between two versions of the page.

--- ncpchem:chiral_field [2025/06/05 15:55]
47.128.57.183 old revision restored (2025/04/16 14:21)
+++ ncpchem:chiral_field [2025/06/12 16:35] (current)
47.128.36.154 old revision restored (2024/12/10 22:52)
@@ Line 67: / Line 67: @@
 </WRAP>
 <WRAP column 500px>
-Total E<sub>PV</sub> = 1.000644625485E-18 au
+r(C-Br): 1.945 Å\\
+r(C-Cl): 1.766 Å\\
+r(C-H):  1.087 Å\\
+Total E<sub>PV</sub> = 1.001E-18 au\\
+Central carbon: 5.523E-20 au\\
 </WRAP>
 </WRAP>
@@ Line 95: / Line 99: @@
 </WRAP>
 <WRAP column 500px>
-Total E<sub>PV</sub> = 1.629074428919E-20 au
+r(C-Br): 4.469 Å\\
+r(C-Cl): 4.316 Å\\
+r(C-H):  3.744 Å\\
+Total E<sub>PV</sub> = 1.629E-20 au\\
+Central carbon: 2.905E-23 au\\
 </WRAP>
 </WRAP>
@@ Line 131: / Line 140: @@
 </WRAP>
 <WRAP column 500px>
-Total E<sub>PV</sub> = -9.436257957083E-23 au
+Total E<sub>PV</sub> = -9.436E-23 au\\
+Centrl carbon: -3.737E-25 au\\
 </WRAP>
 </WRAP>

ncpchem