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Issues with reading hybrid hessian (QM1/QM2) IR ORCA outputs
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#30 In QChASM/SEQCROW;Improvement to the convergence window
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#29 In QChASM/SEQCROW;Improvements to the display of normal modes
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#28 In QChASM/SEQCROW;Clicking into the convergence table throws Pyton error
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#27 In QChASM/SEQCROW;Quick Fix to Bondi radii
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#25 In QChASM/SEQCROW;- Status: Open.#24 In QChASM/SEQCROW;
Several problems with ORCA UV/VIS spectrum.
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationStatus: Open.#22 In QChASM/SEQCROW;Wishlist: HSQC simulation based on RDKit adjacency matrix
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#21 In QChASM/SEQCROW;NMR Spectrum / ORCA 6.x .out file peak arithmetic looks way off
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#20 In QChASM/SEQCROW;CREST tautomerizm screening output
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationduplicateThis issue or pull request already existsThis issue or pull request already existsenhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedwontfixThis will not be worked onThis will not be worked onStatus: Open.#19 In QChASM/SEQCROW;gui for scans
enhancementNew feature or requestNew feature or requestStatus: Open.#15 In QChASM/SEQCROW;File tool
enhancementNew feature or requestNew feature or requestquestionFurther information is requestedFurther information is requestedStatus: Open.#14 In QChASM/SEQCROW;