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Curcumin z matrix

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Dr Robert Craig PhD
Dr Robert Craig PhD
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#n RHF/6-31G(d) Opt Freq Title 0 1 C 0.22640 0.02680 1.50820 C -0.47590 1.24320 1.50820 C -1.88040 1.24320 1.50820 C -1.88040 -1.18960 1.50820 C -0.47580 -1.18960 1.50820 H 0.07590 2.19880 1.50820 H -2.43210 2.19880 1.50820 H 0.07590 -2.14520 1.50820 C 1.74840 0.02680 1.50820 C 2.25710 -1.41200 1.50820 C 3.78310 -1.41200 1.50820 O 4.25310 -0.74730 0.35690 C 4.29180 -2.85070 1.50820 H 3.91880 -3.37810 2.42180 H 3.91880 -3.37810 0.59460 C 5.81780 -2.85070 1.50820 O 6.28780 -2.18600 0.35690 C 6.32640 -4.28940 1.50820 H 8.22540 -3.76200 0.59460 C 7.85050 -4.28390 1.50820 C 10.19960 -7.27890 1.50820 C 9.73140 -5.95470 1.50820 C 8.35050 -5.69810 1.50820 C 7.43770 -6.76560 1.50820 H 10.44850 -5.11610 1.50820 C 7.84460 -8.15760 1.50820 O 7.30080 -8.76340 2.65940 O -2.56240 -2.37090 1.50820 H 7.67080 -8.35130 3.44360 H -1.93890 -3.10090 1.50820 C -2.65500 0.02680 1.50820 O -4.01900 0.02680 1.50820 C -4.48900 -1.30260 1.50820 H -4.11610 -1.83000 0.59460 H -4.11610 -1.83000 2.42180 H -5.60790 -1.30260 1.50820 C 9.33350 -8.47200 1.50820 O 9.62680 -9.23140 2.65940 C 10.99410 -9.57590 2.65940 H 11.22690 -10.17850 1.74590 H 11.61350 -8.64410 2.65940
H 11.22690 -10.17850 3.57300 H 1.55530 -2.23280 1.50820 H 2.28840 0.96210 1.50820 H 5.62460 -5.11030 1.50820

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Curcumin z matrix

  • 1. #n RHF/6-31G(d) Opt Freq Title 0 1 C 0.22640 0.02680 1.50820 C -0.47590 1.24320 1.50820 C -1.88040 1.24320 1.50820 C -1.88040 -1.18960 1.50820 C -0.47580 -1.18960 1.50820 H 0.07590 2.19880 1.50820 H -2.43210 2.19880 1.50820 H 0.07590 -2.14520 1.50820 C 1.74840 0.02680 1.50820 C 2.25710 -1.41200 1.50820 C 3.78310 -1.41200 1.50820 O 4.25310 -0.74730 0.35690 C 4.29180 -2.85070 1.50820 H 3.91880 -3.37810 2.42180 H 3.91880 -3.37810 0.59460 C 5.81780 -2.85070 1.50820 O 6.28780 -2.18600 0.35690 C 6.32640 -4.28940 1.50820 H 8.22540 -3.76200 0.59460 C 7.85050 -4.28390 1.50820 C 10.19960 -7.27890 1.50820 C 9.73140 -5.95470 1.50820 C 8.35050 -5.69810 1.50820 C 7.43770 -6.76560 1.50820 H 10.44850 -5.11610 1.50820 C 7.84460 -8.15760 1.50820 O 7.30080 -8.76340 2.65940 O -2.56240 -2.37090 1.50820 H 7.67080 -8.35130 3.44360 H -1.93890 -3.10090 1.50820 C -2.65500 0.02680 1.50820 O -4.01900 0.02680 1.50820 C -4.48900 -1.30260 1.50820 H -4.11610 -1.83000 0.59460 H -4.11610 -1.83000 2.42180 H -5.60790 -1.30260 1.50820 C 9.33350 -8.47200 1.50820 O 9.62680 -9.23140 2.65940 C 10.99410 -9.57590 2.65940 H 11.22690 -10.17850 1.74590 H 11.61350 -8.64410 2.65940
  • 2. H 11.22690 -10.17850 3.57300 H 1.55530 -2.23280 1.50820 H 2.28840 0.96210 1.50820 H 5.62460 -5.11030 1.50820