Differences

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--- ncpchem:chiral_field [2025/06/09 21:22]
162.128.175.153 old revision restored (2025/03/14 14:31)
+++ 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>
+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\\
@@ Line 96: / Line 99: @@
 </WRAP>
 <WRAP column 500px>
-Total E<sub>PV</sub> = 1.629E-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 132: / Line 140: @@
 </WRAP>
 <WRAP column 500px>
-Total E<sub>PV</sub> = -9.436E-23 au
+Total E<sub>PV</sub> = -9.436E-23 au\\
+Centrl carbon: -3.737E-25 au\\
 </WRAP>
 </WRAP>

ncpchem