1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182
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#Analysis of modes: CORRELATION FUNCTIONS
#Atom1 Atom2 Mode Freq 1-S^2 P2(cum)
14 15
6 3.38359 -0.15472 0.84528
7 3.92297 -0.57835 0.26692
8 4.13841 -0.00948 0.25744
9 4.46986 -0.07578 0.18166
10 5.03614 -0.17134 0.01033
11 5.53491 -0.04181 -0.03149
12 5.63982 -0.01275 -0.04424
13 6.02027 -0.03382 -0.07806
14 6.32055 -0.15584 -0.23391
15 6.36820 -0.03504 -0.26895
16 7.29001 -0.07004 -0.33899
17 7.71376 -0.00757 -0.34656
18 7.88858 -0.01364 -0.36020
19 8.36801 -0.00317 -0.36336
38 39
6 3.38359 -0.07643 0.92357
7 3.92297 -0.23875 0.68482
8 4.13841 -0.02988 0.65494
9 4.46986 -0.01799 0.63695
10 5.03614 -0.08172 0.55523
11 5.53491 -0.04090 0.51434
12 5.63982 -0.02022 0.49411
13 6.02027 -0.00275 0.49137
14 6.32055 -0.02630 0.46506
15 6.36820 -0.01673 0.44833
16 7.29001 -0.02241 0.42592
17 7.71376 -0.01619 0.40973
18 7.88858 -0.00416 0.40556
19 8.36801 -0.00272 0.40285
52 53
6 3.38359 -0.03062 0.96938
7 3.92297 -0.01564 0.95374
8 4.13841 -0.03151 0.92223
9 4.46986 -0.01869 0.90355
10 5.03614 -0.00175 0.90180
11 5.53491 -0.00148 0.90032
12 5.63982 -0.00007 0.90025
13 6.02027 -0.01304 0.88721
14 6.32055 -0.12543 0.76178
15 6.36820 -0.01230 0.74948
16 7.29001 -0.00409 0.74539
17 7.71376 -0.03118 0.71421
18 7.88858 -0.02245 0.69176
19 8.36801 -0.00909 0.68267
76 77
6 3.38359 -0.00276 0.99724
7 3.92297 -0.00358 0.99366
8 4.13841 -0.01285 0.98081
9 4.46986 -0.00393 0.97688
10 5.03614 -0.00000 0.97688
11 5.53491 -0.01545 0.96142
12 5.63982 -0.00516 0.95626
13 6.02027 -0.01255 0.94372
14 6.32055 -0.04022 0.90350
15 6.36820 -0.03202 0.87148
16 7.29001 -0.00092 0.87056
17 7.71376 -0.02806 0.84250
18 7.88858 -0.00387 0.83863
19 8.36801 -0.01077 0.82786
91 92
6 3.38359 -0.02076 0.97924
7 3.92297 -0.00325 0.97599
8 4.13841 -0.03751 0.93848
9 4.46986 -0.03625 0.90223
10 5.03614 -0.01352 0.88871
11 5.53491 -0.00168 0.88703
12 5.63982 -0.04870 0.83833
13 6.02027 -0.06075 0.77758
14 6.32055 -0.00750 0.77008
15 6.36820 -0.00768 0.76240
16 7.29001 -0.03761 0.72479
17 7.71376 -0.01775 0.70705
18 7.88858 -0.02175 0.68529
19 8.36801 -0.00069 0.68460
105 106
6 3.38359 -0.01809 0.98191
7 3.92297 -0.02832 0.95359
8 4.13841 -0.01446 0.93913
9 4.46986 -0.00728 0.93185
10 5.03614 -0.02444 0.90741
11 5.53491 -0.01468 0.89273
12 5.63982 -0.03617 0.85657
13 6.02027 -0.09625 0.76032
14 6.32055 -0.01620 0.74412
15 6.36820 -0.01003 0.73409
16 7.29001 -0.01906 0.71503
17 7.71376 -0.00893 0.70611
18 7.88858 -0.04465 0.66145
19 8.36801 -0.01482 0.64663
112 113
6 3.38359 -0.00673 0.99327
7 3.92297 -0.02457 0.96870
8 4.13841 -0.00628 0.96242
9 4.46986 -0.00473 0.95768
10 5.03614 -0.01066 0.94702
11 5.53491 -0.04404 0.90299
12 5.63982 -0.01116 0.89182
13 6.02027 -0.03150 0.86033
14 6.32055 -0.01048 0.84985
15 6.36820 -0.02731 0.82254
16 7.29001 -0.02081 0.80173
17 7.71376 -0.01491 0.78683
18 7.88858 -0.05379 0.73303
19 8.36801 -0.01387 0.71916
134 135
6 3.38359 -0.01907 0.98093
7 3.92297 -0.03086 0.95007
8 4.13841 -0.07351 0.87656
9 4.46986 -0.00346 0.87310
10 5.03614 -0.01396 0.85914
11 5.53491 -0.00219 0.85695
12 5.63982 -0.04662 0.81034
13 6.02027 -0.00819 0.80215
14 6.32055 -0.00375 0.79840
15 6.36820 -0.00424 0.79415
16 7.29001 -0.04707 0.74708
17 7.71376 -0.00458 0.74250
18 7.88858 -0.01290 0.72960
19 8.36801 -0.00020 0.72941
158 159
6 3.38359 -0.02316 0.97684
7 3.92297 -0.01601 0.96083
8 4.13841 -0.00504 0.95579
9 4.46986 -0.00724 0.94855
10 5.03614 -0.07241 0.87614
11 5.53491 -0.01668 0.85946
12 5.63982 -0.03950 0.81996
13 6.02027 -0.01009 0.80988
14 6.32055 -0.01252 0.79736
15 6.36820 -0.01309 0.78427
16 7.29001 -0.01304 0.77123
17 7.71376 -0.00259 0.76863
18 7.88858 -0.00363 0.76500
19 8.36801 -0.02420 0.74080
172 173
6 3.38359 -0.01696 0.98304
7 3.92297 -0.02081 0.96223
8 4.13841 -0.00005 0.96218
9 4.46986 -0.05346 0.90872
10 5.03614 -0.00269 0.90602
11 5.53491 -0.01973 0.88630
12 5.63982 -0.00562 0.88068
13 6.02027 -0.00769 0.87299
14 6.32055 -0.03401 0.83898
15 6.36820 -0.03839 0.80058
16 7.29001 -0.05421 0.74638
17 7.71376 -0.00273 0.74364
18 7.88858 -0.00190 0.74174
19 8.36801 -0.00316 0.73859
196 197
6 3.38359 -0.03897 0.96103
7 3.92297 -0.00616 0.95487
8 4.13841 -0.02215 0.93273
9 4.46986 -0.04180 0.89093
10 5.03614 -0.00044 0.89049
11 5.53491 -0.03153 0.85895
12 5.63982 -0.01297 0.84598
13 6.02027 -0.01466 0.83132
14 6.32055 -0.02161 0.80971
15 6.36820 -0.02163 0.78808
16 7.29001 -0.01113 0.77695
17 7.71376 -0.00489 0.77206
18 7.88858 -0.01372 0.75834
19 8.36801 -0.03749 0.72085
218 219
6 3.38359 -0.01754 0.98246
7 3.92297 -0.01319 0.96927
8 4.13841 -0.08334 0.88592
9 4.46986 -0.02969 0.85623
10 5.03614 -0.00805 0.84818
11 5.53491 -0.03403 0.81415
12 5.63982 -0.02248 0.79167
13 6.02027 -0.00982 0.78185
14 6.32055 -0.04142 0.74043
15 6.36820 -0.02453 0.71590
16 7.29001 -0.03444 0.68146
17 7.71376 -0.00783 0.67363
18 7.88858 -0.05882 0.61481
19 8.36801 -0.04309 0.57172
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