BNC4H6   MP2/6-31+G(d,p) opt structure    B  N,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,4,B4,3,A3,2,D2,0  C,1,B5,2,A4,3,D3,0  H,1,B6,6,A5,5,D4,0  H,2,B7,1,A6,6,D5,0  H,3,B8,2,A7,1,D6,0  H,4,B9,3,A8,2,D7,0  H,5,B10,4,A9,3,D8,0  H,6,B11,1,A10,2,D9,0       Variables:  B1=1.4384167  B2=1.36961579  B3=1.37357738  B4=1.420674  B5=1.51468155  B6=1.18912503  B7=1.01149528  B8=1.08237295  B9=1.08133681  B10=1.08603141  B11=1.0843082  A1=124.07133322  A2=120.36045351  A3=120.39675592  A4=114.36098887  A5=127.67836377  A6=120.39422259  A7=117.29990696  A8=118.79310418  A9=117.75814723  A10=123.18118895  D1=0.  D2=0.  D3=0.  D4=180.  D5=180.  D6=180.  D7=180.  D8=180.  D9=180.
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	BNC4H6   MP2/aug-cc-pVTZ opt structure    B  N,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,4,B4,3,A3,2,D2,0  C,1,B5,2,A4,3,D3,0  H,1,B6,6,A5,5,D4,0  H,2,B7,1,A6,6,D5,0  H,3,B8,2,A7,1,D6,0  H,4,B9,3,A8,2,D7,0  H,5,B10,4,A9,3,D8,0  H,6,B11,1,A10,2,D9,0       Variables:  B1=1.43620232  B2=1.36328458  B3=1.36923388  B4=1.41564126  B5=1.51206537  B6=1.19059905  B7=1.0093291  B8=1.08146397  B9=1.08023125  B10=1.08513978  B11=1.08350418  A1=124.07001704  A2=120.46343018  A3=120.372526  A4=114.26561889  A5=127.80075197  A6=120.49753947  A7=117.34726631  A8=118.7362903  A9=117.77023127  A10=123.29498667  D1=0.  D2=0.  D3=0.  D4=180.  D5=180.  D6=180.  D7=180.  D8=180.  D9=180.
		BNC4H6_zm.html
		Last modified: 14 June 2010