some example orca-output calculations

parser/output_files/orca3.2706823.out

parser/output_files/orca3.2713636.out

parser/output_files/orca3.2723165.out

parser/output_files/orca3.2984805.out

parser/output_files/orca3.2984807.out

parser/output_files/orca3.2984811.out

parser/output_files/orca3.2984819.out

parser/output_files/orca3.2984835.out

parser/output_files/orca3.2984863.out

parser/output_files/orca3.2984925.out

parser/output_files/orca3.2984931.out

parser/output_files/orca3.2985006.out

parser/output_files/orca3.2985007.out

parser/output_files/orca3.2985012.out

parser/output_files/orca3.2985073.out

parser/output_files/orca3.2985078.out

parser/output_files/orca3.2985087.out