$coord
0.00001227374264 -0.00000003075555 0.00000000000000 c
-2.14857205963009 0.00000001537753 0.00000000000000 o
2.14855978588746 0.00000001537802 0.00000000000000 o
$user-defined bonds
$end
) where I got the following non-zero modesMethod | Freq/cm-1 | |||
aoforce | 757.98 | 1054.69 | 1539.82 | 2630.16 |
grad, NumForce | 754.61 | 763.47 | 1541.23 | 2631.03 |
grad, NumForce -central | 760.82 | 760.82 | 1540.30 | 2631.78 |
aoforce with molecule aligned on x axis | 758.04 | 758.04 | 1539.73 | 2629.94 |