From the log:

ERROR: AtomTree::torsion_angle_dof_id: angle range error
ERROR:: Exit from: ..\..\..\source\src\core\kinematics\AtomTree.cc line: 631

UNHANDLED EXCEPTION
1: RaiseException +72 bytes (no line)
2: library_main +34162405 bytes (no line)
3: library_main +31291665 bytes (no line)
4: library_main +30058167 bytes (no line)
5: library_main +30059498 bytes (no line)
6: library_main +30122228 bytes (no line)
7: library_main +30122453 bytes (no line)
8: library_main +30124933 bytes (no line)
9: library_main +4286751 bytes (no line)
10: library_main +23042901 bytes (no line)
11: library_main +21338863 bytes (no line)
12: library_main +21312743 bytes (no line)
13: library_main +22050383 bytes (no line)
14: library_main +22063953 bytes (no line)
15: library_main +21275280 bytes (no line)
16: library_main +21272752 bytes (no line)
17: library_main +6900769 bytes (no line)
18: library_main +6568233 bytes (no line)
19: library_main +6897345 bytes (no line)
20: library_main +4730030 bytes (no line)
21: library_main +4733366 bytes (no line)
22: BaseThreadInitThunk +14 bytes (no line)
23: RtlInitializeExceptionChain +132 bytes (no line)
24: RtlInitializeExceptionChain +90 bytes (no line)