2-Cl-Naphthalene  B3P86/6-31G(d,p) opt str

 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 C,5,B5,4,A4,3,D3,0
 H,3,B6,2,A5,1,D4,0
 H,1,B7,2,A6,3,D5,0
 H,2,B8,1,A7,6,D6,0
 C,3,B9,2,A8,1,D7,0
 C,4,B10,3,A9,2,D8,0
 H,5,B11,4,A10,3,D9,0
 H,6,B12,5,A11,4,D10,0
 C,11,B13,4,A12,3,D11,0
 C,10,B14,3,A13,2,D12,0
 H,11,B15,4,A14,3,D13,0
 H,15,B16,10,A15,3,D14,0
 Cl,14,B17,11,A16,4,D15,0
      Variables:
 B1=1.37357018
 B2=1.41598339
 B3=1.42837662
 B4=1.41705182
 B5=1.37341885
 B6=2.16246044
 B7=1.0855138
 B8=1.08659866
 B9=1.41660942
 B10=1.41636472
 B11=1.08644418
 B12=1.08562276
 B13=1.3715395
 B14=1.3721648
 B15=1.08490107
 B16=1.08397539
 B17=1.74491909
 A1=120.74862392
 A2=118.9920601
 A3=118.92389255
 A4=120.66317144
 A5=96.18964403
 A6=120.10763535
 A7=120.50254263
 A8=122.276715
 A9=119.27929337
 A10=118.82933696
 A11=119.97834421
 A12=119.81399114
 A13=121.27556273
 A14=119.77581165
 A15=121.25064828
 A16=119.86838822
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=180.
 D9=180.
 D10=180.
 D11=0.
 D12=180.
 D13=180.
 D14=180.
 D15=180.
 
 --------------------------------------------------------------
 
2-Cl-Naphthalene  B3P86/6-31G(3d,3p) opt str

 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 C,5,B5,4,A4,3,D3,0
 H,3,B6,2,A5,1,D4,0
 H,1,B7,2,A6,3,D5,0
 H,2,B8,1,A7,6,D6,0
 C,3,B9,2,A8,1,D7,0
 C,4,B10,3,A9,2,D8,0
 H,5,B11,4,A10,3,D9,0
 H,6,B12,5,A11,4,D10,0
 C,11,B13,4,A12,3,D11,0
 C,10,B14,3,A13,2,D12,0
 H,11,B15,4,A14,3,D13,0
 H,15,B16,10,A15,3,D14,0
 Cl,14,B17,11,A16,4,D15,0
      Variables:
 B1=1.37143321
 B2=1.41439983
 B3=1.42606363
 B4=1.41549992
 B5=1.37128383
 B6=2.16075253
 B7=1.08470887
 B8=1.08577039
 B9=1.41520017
 B10=1.41485335
 B11=1.0856119
 B12=1.08482884
 B13=1.36947124
 B14=1.36990381
 B15=1.08403414
 B16=1.08312675
 B17=1.73648628
 A1=120.74973015
 A2=118.9891386
 A3=118.92283472
 A4=120.65966726
 A5=96.16432703
 A6=120.10653538
 A7=120.47309909
 A8=122.24643801
 A9=119.26680177
 A10=118.8618311
 A11=119.97708619
 A12=119.79246405
 A13=121.24236267
 A14=119.86619184
 A15=121.31459202
 A16=119.87035472
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=180.
 D9=180.
 D10=180.
 D11=0.
 D12=180.
 D13=180.
 D14=180.
 D15=180.
 
  2ClNaphthalene_zm.html
  Last modified: 15 March 2009