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            -0.00102913 -0.00301612 -0.00439536 -0.00533264 -0.00595679
2            -0.00224789 -0.00568187 -0.00802981 -0.00971337 -0.01090576
3            -0.00224903 -0.00568301 -0.00803095 -0.00971450 -0.01090690
4             0.05141012  0.15141004  0.25141010  0.35141015  0.45141008
5             0.00132121  0.00375671  0.00564976  0.00710710  0.00820190
 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       1e+01    1.220292E-04
moh-xF-1.6      1.121111E-02     2.9e+01    2.534588E-03
moh-xF-1.7      3.097769E-02       5e+01    1.038304E-02
moh-xF-1.8      6.069780E-02     7.4e+01    2.580513E-02
moh-xF-1.9      1.004911E-01       1e+02    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              -2.583868E-07   -2.172107E-06   -6.992634E-06   -1.458793E-05   -2.421124E-05
2              -4.653092E-07   -6.633571E-06   -2.191674E-05   -4.485244E-05   -7.375111E-05
3              -5.016757E-07   -6.730888E-06   -2.192387E-05   -4.504023E-05   -7.397712E-05
4               1.300671E-03    1.136402E-02    3.160623E-02    6.226990E-02    1.035359E-01
5              -1.039982E-07   -1.054818E-06   -4.623253E-06   -1.146654E-05   -2.159264E-05
6              -1.026157E-06   -1.329359E-05   -5.179536E-05   -1.313975E-04   -2.550338E-04
7              -5.712821E-07   -1.202482E-05   -5.183288E-05   -1.287594E-04   -2.517945E-04
8              -2.890340E-06   -2.630683E-05   -9.767751E-05   -2.351224E-04   -4.517950E-04
9              -3.171320E-07   -1.117695E-05   -5.326289E-05   -1.408263E-04   -2.785507E-04
10              7.271562E-07   -5.369517E-06   -3.628663E-05   -1.074969E-04   -2.349288E-04
11              3.518499E-07   -6.455537E-06   -3.612759E-05   -1.099885E-04   -2.381732E-04
12             -4.380873E-06   -6.194323E-05   -2.470017E-04   -6.047734E-04   -1.145033E-03
13              9.319130E-09    9.215347E-09    1.227020E-09    9.100141E-09    9.296218E-09
14              5.084806E-09    6.709216E-08    3.749899E-07    9.324827E-07    1.785157E-06
15              5.936424E-08    1.693836E-07    5.244146E-07    1.263838E-06    2.246753E-06
XYZ FILES APPENDED
Reference .XYZ
6
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
moh-xF-1.5 .XYZ
12
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
C          0.71232       -0.02195        0.00001
H          1.08694        1.00256       -0.00009
H          1.04933       -0.54618        0.90248
H          1.04935       -0.54636       -0.90235
O         -0.78082        0.12132       -0.00002
H         -1.21298       -0.74887        0.00005
moh-xF-1.6 .XYZ
18
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
C          0.71232       -0.02195        0.00001
H          1.08694        1.00256       -0.00009
H          1.04933       -0.54618        0.90248
H          1.04935       -0.54636       -0.90235
O         -0.78082        0.12132       -0.00002
H         -1.21298       -0.74887        0.00005
C          0.76575       -0.01991        0.00001
H          1.09883        1.01676       -0.00009
H          1.07141       -0.54372        0.90969
H          1.07144       -0.54390       -0.90956
O         -0.82807        0.12063       -0.00002
H         -1.21160       -0.77471        0.00005
moh-xF-1.7 .XYZ
24
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
C          0.71232       -0.02195        0.00001
H          1.08694        1.00256       -0.00009
H          1.04933       -0.54618        0.90248
H          1.04935       -0.54636       -0.90235
O         -0.78082        0.12132       -0.00002
H         -1.21298       -0.74887        0.00005
C          0.76575       -0.01991        0.00001
H          1.09883        1.01676       -0.00009
H          1.07141       -0.54372        0.90969
H          1.07144       -0.54390       -0.90956
O         -0.82807        0.12063       -0.00002
H         -1.21160       -0.77471        0.00005
C          0.81917       -0.01774        0.00001
H          1.11354        1.02914       -0.00008
H          1.09460       -0.54231        0.91607
H          1.09463       -0.54249       -0.91593
O         -0.87527        0.11964       -0.00003
H         -1.21558       -0.79503        0.00006
moh-xF-1.8 .XYZ
30
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
C          0.71232       -0.02195        0.00001
H          1.08694        1.00256       -0.00009
H          1.04933       -0.54618        0.90248
H          1.04935       -0.54636       -0.90235
O         -0.78082        0.12132       -0.00002
H         -1.21298       -0.74887        0.00005
C          0.76575       -0.01991        0.00001
H          1.09883        1.01676       -0.00009
H          1.07141       -0.54372        0.90969
H          1.07144       -0.54390       -0.90956
O         -0.82807        0.12063       -0.00002
H         -1.21160       -0.77471        0.00005
C          0.81917       -0.01774        0.00001
H          1.11354        1.02914       -0.00008
H          1.09460       -0.54231        0.91607
H          1.09463       -0.54249       -0.91593
O         -0.87527        0.11964       -0.00003
H         -1.21558       -0.79503        0.00006
C          0.87260       -0.01565        0.00001
H          1.13025        1.03991       -0.00009
H          1.11916       -0.54151        0.92154
H          1.11919       -0.54170       -0.92140
O         -0.92239        0.11850       -0.00002
H         -1.22510       -0.81082        0.00005
moh-xF-1.9 .XYZ
36
Title Card Required
C          0.68485       -0.02290       -0.00000
H          1.08036        0.99483        0.00066
H          1.03884       -0.54798        0.89820
H          1.03895       -0.54688       -0.89880
O         -0.75654        0.12140       -0.00000
H         -1.21495       -0.73375       -0.00001
C          0.71232       -0.02195        0.00001
H          1.08694        1.00256       -0.00009
H          1.04933       -0.54618        0.90248
H          1.04935       -0.54636       -0.90235
O         -0.78082        0.12132       -0.00002
H         -1.21298       -0.74887        0.00005
C          0.76575       -0.01991        0.00001
H          1.09883        1.01676       -0.00009
H          1.07141       -0.54372        0.90969
H          1.07144       -0.54390       -0.90956
O         -0.82807        0.12063       -0.00002
H         -1.21160       -0.77471        0.00005
C          0.81917       -0.01774        0.00001
H          1.11354        1.02914       -0.00008
H          1.09460       -0.54231        0.91607
H          1.09463       -0.54249       -0.91593
O         -0.87527        0.11964       -0.00003
H         -1.21558       -0.79503        0.00006
C          0.87260       -0.01565        0.00001
H          1.13025        1.03991       -0.00009
H          1.11916       -0.54151        0.92154
H          1.11919       -0.54170       -0.92140
O         -0.92239        0.11850       -0.00002
H         -1.22510       -0.81082        0.00005
C          0.92605       -0.01370        0.00001
H          1.14868        1.04916       -0.00009
H          1.14478       -0.54112        0.92625
H          1.14480       -0.54131       -0.92611
O         -0.96942        0.11734       -0.00002
H         -1.23918       -0.82322        0.00005
