Units are Angstrom for bonds and degrees for angles
Type Name I J K L M Value Gradient
----------- -------- ----- ----- ----- ----- ----- ---------- ----------
1 Stretch 1 2 0.99985 NaN
2 Stretch 1 3 1.00020 NaN
3 Stretch 1 4 0.99985 NaN
4 Stretch 1 5 1.50000 NaN
5 Stretch 5 6 1.11120 NaN
6 Stretch 5 7 1.11156 NaN
7 Stretch 5 8 1.49985 NaN
8 Stretch 8 9 1.11195 NaN
9 Stretch 8 10 1.11122 NaN
10 Stretch 8 11 1.50004 NaN
11 Stretch 11 12 1.11104 NaN
12 Stretch 11 13 1.11129 NaN
13 Stretch 11 14 1.11163 NaN
14 Bend 1 5 6 109.55882 NaN
15 Bend 1 5 7 111.03600 NaN
16 Bend 1 5 8 111.59457 NaN
17 Bend 2 1 3 109.92376 NaN
18 Bend 2 1 4 109.88811 NaN
19 Bend 2 1 5 109.02916 NaN
20 Bend 3 1 4 109.92396 NaN
21 Bend 3 1 5 109.02216 NaN
22 Bend 4 1 5 109.02913 NaN
23 Bend 5 8 9 109.55782 NaN
24 Bend 5 8 10 111.05126 NaN
25 Bend 5 8 11 111.60905 NaN
26 Bend 6 5 7 107.95092 NaN
27 Bend 6 5 8 107.98895 NaN
28 Bend 7 5 8 108.59312 NaN
29 Bend 8 11 12 109.52445 NaN
30 Bend 8 11 13 111.06939 NaN
31 Bend 8 11 14 111.55617 NaN
32 Bend 9 8 10 107.92839 NaN
33 Bend 9 8 11 107.98520 NaN
34 Bend 10 8 11 108.58888 NaN
35 Bend 12 11 13 107.93042 NaN
36 Bend 12 11 14 108.03061 NaN
37 Bend 13 11 14 108.61246 NaN
38 Torsion 1 5 8 9 -60.00880 NaN
39 Torsion 1 5 8 10 59.11984 NaN
40 Torsion 1 5 8 11 -179.55781 NaN
41 Torsion 2 1 5 6 -59.98604 NaN
42 Torsion 2 1 5 7 59.16166 NaN
43 Torsion 2 1 5 8 -179.53121 NaN
44 Torsion 3 1 5 6 -179.99902 NaN
45 Torsion 3 1 5 7 -60.85132 NaN
46 Torsion 3 1 5 8 60.45581 NaN
47 Torsion 4 1 5 6 59.98779 NaN
48 Torsion 4 1 5 7 179.13548 NaN
49 Torsion 4 1 5 8 -59.55739 NaN
50 Torsion 5 8 11 12 58.99956 NaN
51 Torsion 5 8 11 13 178.12066 NaN
52 Torsion 5 8 11 14 -60.55076 NaN
53 Torsion 6 5 8 9 179.52199 NaN
54 Torsion 6 5 8 10 -61.34938 NaN
55 Torsion 6 5 8 11 59.97298 NaN
56 Torsion 7 5 8 9 62.70646 NaN
57 Torsion 7 5 8 10 -178.16490 NaN
58 Torsion 7 5 8 11 -56.84255 NaN
59 Torsion 9 8 11 12 -61.47481 NaN
60 Torsion 9 8 11 13 57.64628 NaN
61 Torsion 9 8 11 14 178.97486 NaN
62 Torsion 10 8 11 12 -178.25940 NaN
63 Torsion 10 8 11 13 -59.13831 NaN
64 Torsion 10 8 11 14 62.19027 NaN
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
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JOB STOPPED
PROGRAM STOP IN -TORS -
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CALLS IT QUIT FROM HND_HNDERR 0
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current input line :
28: task dft optimize
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This error has not yet been assigned to a category
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ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
------------------------------------------------------------------------
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
------------------------------------------------------------------------
JOB STOPPED
PROGRAM STOP IN -TORS -
JOB STOPPED
PROGRAM STOP IN -TORS -
------------------------------------------------------------------------
CALLS IT QUIT FROM HND_HNDERR 0
------------------------------------------------------------------------
JOB STOPPED
PROGRAM STOP IN -TORS -
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JOB STOPPED
PROGRAM STOP IN -TORS -
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CALLS IT QUIT FROM HND_HNDERR 0
------------------------------------------------------------------------
JOB STOPPED
PROGRAM STOP IN -TORS -
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CALLS IT QUIT FROM HND_HNDERR 0
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current input line :
ATOMS 1 5 8 ARE COLLINEAR. RUN STOPPED.
------------------------------------------------------------------------
JOB STOPPED
PROGRAM STOP IN -TORS -
For further details see manual section:
No section for this category
------------------------------------------------------------------------
CALLS IT QUIT FROM HND_HNDERR 0
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current input line :
0:
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current input line :
------------------------------------------------------------------------
CALLS IT QUIT FROM HND_HNDERR 0
------------------------------------------------------------------------
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current input line :
0:
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0:
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This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
------------------------------------------------------------------------
JOB STOPPED
PROGRAM STOP IN -TORS -
------------------------------------------------------------------------
CALLS IT QUIT FROM HND_HNDERR 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
4:4: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:4 hostname:teal129 pid:23476):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
CALLS IT QUIT FROM HND_HNDERR 0
------------------------------------------------------------------------
0:0: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:0 hostname:teal129 pid:23472):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
current input line :
0:
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This error has not yet been assigned to a category
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For more information see the NWChem manual at
1:1: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:1 hostname:teal129 pid:23473):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
7:7: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:7 hostname:teal129 pid:23479):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
3:3: CALLS IT QUIT FROM HND_HNDERR:: 0
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
6:6: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:6 hostname:teal129 pid:23478):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
(rank:3 hostname:teal129 pid:23475):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
For further details see manual section:
No section for this category
5:5: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:5 hostname:teal129 pid:23477):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
2:2: CALLS IT QUIT FROM HND_HNDERR:: 0
(rank:2 hostname:teal129 pid:23474):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
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