1,4-Thiazine, B3P86/6-31G(3d,3p) opt str
	N  C,1,B1  C,2,B2,1,A1  S,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,5,B9,4,A8,3,D7,0  H,6,B10,1,A9,2,D8,0
	B1=1.38936207  B2=1.33231243  B3=1.7748065  B4=1.7748065  B5=1.38936207  B6=1.0018664  B7=1.08381325  B8=1.08151131  B9=1.08151131  B10=1.08381325  A1=124.82730125  A2=125.40613081  A3=98.10178342  A4=121.43135248  A5=119.28432376  A6=115.03952493  A7=120.20327965  A8=114.39058955  A9=115.03952493  D1=0.  D2=0.  D3=0.  D4=180.  D5=180.  D6=180.  D7=180.  D8=180.
	Phenothiazine, 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  N,3,B6,2,A5,1,D4,0  S,4,B7,3,A6,2,D5,0  C,8,B8,4,A7,3,D6,0  C,7,B9,3,A8,2,D7,0  C,10,B10,7,A9,3,D8,0  H,11,B11,10,A10,7,D9,0  C,11,B12,10,A11,7,D10,0  C,13,B13,11,A12,10,D11,0  C,14,B14,13,A13,11,D12,0  H,7,B15,3,A14,2,D13,0  H,1,B16,2,A15,3,D14,0  H,2,B17,1,A16,6,D15,0  H,5,B18,4,A17,3,D16,0  H,6,B19,5,A18,4,D17,0  H,13,B20,11,A19,10,D18,0  H,14,B21,13,A20,11,D19,0  H,15,B22,14,A21,13,D20,0
	B1=1.38860948  B2=1.39598093  B3=1.40159815  B4=1.39047022  B5=1.39079995  B6=1.38508077  B7=1.76428906  B8=1.76428906  B9=1.38508077  B10=1.39598093  B11=1.08672229  B12=1.38860948  B13=1.38725109  B14=1.39079995  B15=1.00637272  B16=1.0843589  B17=1.08672229  B18=1.08561399  B19=1.08377597  B20=1.0843589  B21=1.08377597  B22=1.08561399  A1=121.19034146  A2=118.71802193  A3=119.68648088  A4=121.16014899  A5=119.2665485  A6=122.92337274  A7=102.84051814  A8=127.28187723  A9=119.2665485  A10=118.79118134  A11=121.19034146  A12=119.96166248  A13=119.28334427  A14=116.35906138  A15=119.49024889  A16=120.01847721  A17=118.87083754  A18=119.9008991  A19=119.49024889  A20=120.81575663  A21=119.96901348  D1=0.  D2=0.  D3=0.  D4=180.  D5=180.  D6=0.  D7=180.  D8=180.  D9=0.  D10=180.  D11=0.  D12=0.  D13=0.  D14=180.  D15=180.  D16=180.  D17=180.  D18=180.  D19=180.  D20=180.
		Thiazine_zm.html
		Last Modified: 1 Dec 2013