Summary of SITH analysis
Redundant Internal Coordinate Definitions
**Defined by indices of involved atoms**
1           (1, 2)
2           (1, 3)
3           (1, 4)
4           (1, 5)
5           (5, 6)
6           (2, 1, 3)
7           (2, 1, 4)
8           (2, 1, 5)
9           (3, 1, 4)
10          (3, 1, 5)
11          (4, 1, 5)
12          (1, 5, 6)
13          (2, 1, 5, 6)
14          (3, 1, 5, 6)
15          (4, 1, 5, 6)
Changes in internal coordinates (Delta q)
**Distances given in Angstroms, angles given in degrees**
DOF          moh-xF-1.5  moh-xF-1.6  moh-xF-1.7  moh-xF-1.8  moh-xF-1.9 
1            -0.00367510 -0.01077075 -0.01569612 -0.01904322 -0.02127207
2            -0.00802737 -0.02029033 -0.02867499 -0.03468707 -0.03894518
3            -0.00803143 -0.02029439 -0.02867904 -0.03469113 -0.03894924
4             0.18358886  0.54069508  0.89780175  1.25490842  1.61201464
5             0.00471812  0.01341545  0.02017567  0.02537992  0.02928953
 6            0.93046301  2.60025302  4.08412527  5.38664235  6.51927896
 7            0.92931554  2.59907822  4.08295048  5.38546756  6.51815881
 8           -0.91581908 -2.74682888 -4.45008681 -6.07752964 -7.64462093
 9            1.05072898  2.92373078  4.51724123  5.86224208  7.00135371
 10          -1.01611358 -2.89892353 -4.70870509 -6.42595125 -8.06612556
 11          -1.01614090 -2.89895085 -4.70873241 -6.42603322 -8.06612556
 12          -1.54840388 -4.32815427 -6.70533331 -8.70999383-10.42907049
 13           0.03634890  0.03637622 -0.03527110  0.03664943  0.03725048
 14           0.01129713  0.07824665  0.18493420  0.30032342  0.41701037
 15          -0.08261797 -0.14960846 -0.25402840 -0.37219067 -0.49010705

***********************
**  Energy Analysis  **
***********************
Overall Structural Energies
Deformation        ΔE          %Error          Error
moh-xF-1.5      1.291308E-03      10.44%    1.220292E-04
moh-xF-1.6      1.121111E-02      29.21%    2.534588E-03
moh-xF-1.7      3.097769E-02      50.42%    1.038304E-02
moh-xF-1.8      6.069780E-02      73.96%    2.580513E-02
moh-xF-1.9      1.004911E-01     100.44%    5.035480E-02
Energy per DOF (RIC)
DOF            moh-xF-1.5      moh-xF-1.6      moh-xF-1.7      moh-xF-1.8      moh-xF-1.9   
1               6.859413E-07    5.891690E-06    1.251217E-05    1.841742E-05    2.298093E-05
2               3.084896E-06    1.970933E-05    3.936407E-05    5.760084E-05    7.261075E-05
3               3.088310E-06    1.971910E-05    3.937898E-05    5.761983E-05    7.263284E-05
4               1.533001E-03    1.329703E-02    3.666153E-02    7.162650E-02    1.181919E-01
5               1.604713E-06    1.297391E-05    2.934378E-05    4.643450E-05    6.184222E-05
6               9.963839E-06    7.781435E-05    1.919670E-04    3.339372E-04    4.891337E-04
7               9.939585E-06    7.774644E-05    1.918625E-04    3.338018E-04    4.889807E-04
8               1.847234E-05    1.661750E-04    4.361536E-04    8.134983E-04    1.287106E-03
9               1.284253E-05    9.943609E-05    2.373645E-04    3.997576E-04    5.702080E-04
10              2.243474E-05    1.826039E-04    4.817698E-04    8.972457E-04    1.413730E-03
11              2.243573E-05    1.826056E-04    4.817707E-04    8.972600E-04    1.413716E-03
12              6.292466E-05    4.916520E-04    1.180030E-03    1.991077E-03    2.854589E-03
13              5.181851E-09    5.189643E-09    4.879106E-09    5.267891E-09    5.442096E-09
14              5.483650E-10    2.630660E-08    1.469494E-07    3.875356E-07    7.471830E-07
15              2.933574E-08    9.619674E-08    2.773400E-07    5.953591E-07    1.032357E-06