In the search for interstellar molecules containing at least one AlH bond, HAlNP may be a viable candidate for potential observation. The present high-level quantum chemical analysis shows that the 1 ${}^1{A}^{\prime }$ and 1 ${}^3{A}^{″}$ states of HAlNP are nearly degenerate (differ by $~20$ cm⁻¹). Additionally, this molecular connectivity is preferred over the resulting van der Waals AlH$\cdots$PN isomer by 17.31 kcal/mol and has exceptionally bright itensities for fundamental infrared frequencies at 1763.2 cm⁻¹ and 1261.6 cm⁻¹ for the singlet as well as 1813.1 cm⁻¹ and 1296.2 cm⁻¹ in the triplet. These sets both fall in regions perceived to be dominated by hydrocarbon emissions, but the notable strengths of these infrared signals imply that this molecule or other third-row atom containing species cannot be fully neglected for inclusion as potential, astronomical, spectral carriers. 1 ${}^1{A}^{\prime }$ HAlNP also possesses a 0.95 D dipole moment and near-prolate behavior with a trusted CcCR $B_{\mathit{eff}}$ of 3066.2 MHz. The 1 ${}^3{A}^{″}$ state of HAlNP has a smaller dipole moment at 0.46 D and a slightly smaller $B_{\mathit{eff}}$ of 3056.8 MHz. Finally, the 1 ${}^1{A}^{\prime }$ state vibrational frequencies computed via two different coupled cluster approaches (CCSD(T)-F12/cc-pVTZ-F12 and CcCR) agree to, typically, within 2.5 cm⁻¹ of one another giving future promise for the former’s use in larger molecules where CcCR is intractable.

在寻找含有至少一个Al H键的星际分子时，HArNP可能是潜在观察的可行候选物。目前的高级量子化学分析表明${}^{\mathrm{1个}}{\mathrm{一种}}^{\prime }$ 和1 ${}^3{\mathrm{一种}}^{\text{'}\text{'}}$ HAlNP的状态几乎简并（ $〜20$cm ^-1）。此外，这种分子连通性优于生成的范德华斯AlH$\cdots$PN异构体由17.31千卡/摩尔，并具有在1763.2厘米格外明亮itensities对基本红外频率^-1和1261.6厘米^-1为单峰以及1813.1厘米^-1和1296.2厘米^-1在三联。这些集合都落在被认为是碳氢化合物排放占主导的区域，但是这些红外信号的显着强度暗示着不能完全忽略该分子或其他含第三行原子的物质作为潜在的，天文学的光谱载体。1个${}^{\mathrm{1个}}{\mathrm{一种}}^{\prime }$ HAlNP还具有0.95 D的偶极矩，并且具有可信赖的CcCR接近扁长的行为 ${乙}_{\mathit{效}}$3066.2 MHz 1${}^3{\mathrm{一种}}^{\text{'}\text{'}}$ HAlNP的状态在0.46 D时具有较小的偶极矩，而在较小的情况下 ${乙}_{\mathit{效}}$3056.8 MHz 最后，1${}^{\mathrm{1个}}{\mathrm{一种}}^{\prime }$通过两种不同的耦合簇方法（CCSD（T）-F12 / cc-pVTZ-F12和CcCR）计算出的态振动频率通常彼此之间在2.5 cm ^-1之内，这为前者在较大分子中的应用提供了未来希望CcCR很难处理。