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Total Bot       0.105673D-24        -24.976037        -57.509451
Total V=0       0.319813D+12         11.504896         26.491003
Vib (Bot)       0.677005D-36        -36.169408        -83.283140
Vib (Bot)  1    0.972920D+00         -0.011923         -0.027454
Vib (Bot)  2    0.411480D+00         -0.385651         -0.887994
Vib (Bot)  3    0.254884D+00         -0.593658         -1.366947
Vib (V=0)       0.204892D+01          0.311525          0.717314
Vib (V=0)  1    0.159388D+01          0.202456          0.466171
Vib (V=0)  2    0.114755D+01          0.059770          0.137626
Vib (V=0)  3    0.106122D+01          0.025805          0.059417
Electronic      0.100000D+01          0.000000          0.000000
Translational   0.107166D+08          7.030057         16.187304
Rotational      0.145651D+05          4.163314          9.586385

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ÎÄÏ×Ô­ÎÄ£º Rotational-vibrational partition functions were constructed from the computed structural and vibrational data at the PM3 quantum-chemical level of theory (though, only of the rigid rotator and harmonic oscillator quality and with no frequency scaling).

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