# B1LYP/Gen prop scf=tight BrFHCCH3 rc MP2/aug-cc-pVTZ      0  1  C  C,1,B1  Br,1,B2,2,A1  F,1,B3,3,A2,2,D1,0  H,1,B4,2,A3,3,D2,0  H,2,B5,1,A4,3,D3,0  H,2,B6,1,A5,3,D4,0  H,2,B7,1,A6,3,D5,0       Variables:  B1=1.4996  B2=1.9436  B3=1.3443  B4=1.08627413  B5=1.08971767  B6=1.08720717  B7=1.08744034  A1=110.88239556  A2=108.46499341  A3=113.77705105  A4=108.93043837  A5=109.97068923  A6=109.88527784  D1=-120.93967373  D2=-118.66207519  D3=-179.20383052  D4=60.95001526  D5=-59.33590459 1,2,3,4,5,6,7,8,0 TZV **** C  D   1  1.00        2.50400000          1.00000000  D   1  1.00       0.626000000          1.00000000  D   1  1.00       0.156500000          1.00000000  F   1  1.00       0.800000000          1.00000000 **** H  P   1  1.00        3.00000000          1.00000000  P   1  1.00       0.750000000          1.00000000  P   1  1.00       0.187500000          1.00000000 **** Br  D   1 1.00       0.000000000000       0.1353000000D+01  0.1000000000D+01  D   1 1.00       0.000000000000       0.4510000000D+00  0.1000000000D+01  D   1 1.00       0.000000000000       0.1503333333D+00  0.1000000000D+01  F   1 1.00       0.000000000000       0.5600000000D+00  0.1000000000D+01 **** F  D   1  1.00        7.00000000          1.00000000  D   1  1.00        1.75000000          1.00000000  D   1  1.00       0.437500000          1.00000000  F   1  1.00        1.85000000          1.00000000 ****
		BrFHCCH3_zm.html
		Last modified: 25 Feb 2007