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Table 6

Rotational spectrum of C2H5C≡C–C≡N.

Watson S-reduction
Total number of transitions: 342

Transition Obs. frequency Obs. – calc. Weight t Distortion corrections
total higher

3 1 3 4 1 4 10 402.26 –0.066 0.10 –0.6 0.068 –4.600E-6
4 1 4 5 1 5 13 002.79 0.153 0.10 1.3 0.056 –4.100E-6
4 1 3 5 1 4 13 299.18 –0.148 0.15 –0.9 0.056 –4.100E-6
5 1 5 6 1 6 15 602.66 –0.109 0.10 –0.9 0.024 –2.600E-7
5 1 4 6 1 5 15 958.99 0.197 0.20 0.8 0.024 –2.600E-7
6 1 6 7 1 7 18 202.68 –0.006 0.10 –0.1 –0.032 9.900E-6
6 1 5 7 1 6 18 617.99 –0.047 0.10 –0.4 –0.032 9.900E-6
7 1 7 8 1 8 20 802.25 –0.105 0.10 –0.9 –0.114 3.100E-5
8 0 8 9 0 9 23 656.73 0.013 0.10 0.1 –0.474 1.000E-4
8 1 8 9 1 9 23 401.56 –0.182 0.10 –1.6 –0.228 6.700E-5
8 1 7 9 1 8 23 935.70 –0.012 0.10 –0.1 –0.228 6.700E-5
9 0 9 10 0 10 26 281.13 0.093 0.10 0.8 –0.649 1.700E-4
9 1 9 10 1 10 26 000.45 –0.363 0.15 –2.1 –0.377 1.300E-4
9 1 8 10 1 9 26 593.98 –0.084 0.10 –0.8 –0.377 1.300E-4
9 7 3 10 7 4 26 316.27 –0.124 0.15 –0.7 12.744 –0.027
9 7 2 10 7 3 26 316.27 –0.124 0.15 –0.7 12.744 –0.027
10 0 10 11 0 11 28 904.04 0.003 0.10 0.0 –0.863 2.800E-4
10 1 10 11 1 11 28 599.62 0.083 0.10 0.8 –0.565 2.200E-4
10 1 9 11 1 10 29 252.17 0.131 0.10 1.2 –0.565 2.200E-4
10 7 4 11 7 5 28 947.95 –0.036 0.15 –0.2 13.868 –0.030
10 7 3 11 7 4 28 947.95 –0.036 0.15 –0.2 13.868 –0.030
11 0 11 12 0 12 31 525.58 –0.010 0.10 –0.1 –1.120 4.300E-4
11 1 11 12 1 12 31 197.97 0.089 0.10 0.8 –0.795 3.600E-4
11 1 10 12 1 11 31 909.87 0.273 0.15 1.6 –0.795 3.600E-4
11 2 10 12 2 11 31 557.96 0.003 0.10 0.0 0.190 –1.200E-5
11 6 6 12 6 7 31 575.78 0.186 0.15 1.1 10.690 –0.018
11 6 5 12 6 6 31 575.78 0.186 0.15 1.1 10.690 –0.018
11 7 5 12 7 6 31 579.52 –0.044 0.15 –0.3 14.949 –0.033
11 7 4 12 7 5 31 579.52 –0.044 0.15 –0.3 14.949 –0.033
11 8 4 12 8 5 31 584.15 –0.138 0.15 –0.8 19.857 –0.055
11 8 3 12 8 4 31 584.15 –0.138 0.15 –0.8 19.857 –0.055
11 9 3 12 9 4 31 589.76 0.041 0.15 0.2 25.413 –0.087
11 9 2 12 9 3 31 589.76 0.041 0.15 0.2 25.413 –0.087
12 0 12 13 0 13 34 145.42 –0.152 0.10 –1.5 –1.423 6.400E-4
12 1 12 13 1 13 33 795.93 0.114 0.10 1.1 –1.073 5.500E-4
12 1 11 13 1 12 34 566.91 0.215 0.15 1.3 –1.073 5.500E-4
12 2 11 13 2 12 34 186.42 0.011 0.10 0.1 –0.005 1.200E-4
12 6 7 13 6 8 34 206.88 –0.001 0.10 0.0 11.369 –0.020
12 6 6 13 6 7 34 206.88 –0.001 0.10 0.0 11.369 –0.020
12 7 6 13 7 7 34 211.02 –0.108 0.15 –0.6 15.982 –0.036
12 7 5 13 7 6 34 211.02 –0.108 0.15 –0.6 15.982 –0.036
12 8 5 13 8 6 34 216.13 –0.081 0.15 –0.5 21.300 –0.060
12 8 4 13 8 5 34 216.13 –0.081 0.15 –0.5 21.300 –0.060
12 9 4 13 9 5 34 222.06 –0.010 0.10 –0.1 27.318 –0.095
12 9 3 13 9 4 34 222.06 –0.010 0.10 –0.1 27.318 –0.095
13 0 13 14 0 14 36 763.68 –0.182 0.15 –1.1 –1.775 9.200E-4
13 1 13 14 1 14 36 393.55 0.238 0.10 2.3 –1.401 8.200E-4
13 1 12 14 1 13 37 223.53 0.239 0.15 1.4 –1.400 8.200E-4
13 2 12 14 2 13 36 814.42 –0.111 0.10 –1.0 –0.251 3.100E-4
13 6 8 14 6 9 36 838.09 –0.076 0.15 –0.4 11.997 –0.022
13 6 7 14 6 8 36 838.09 –0.076 0.15 –0.4 11.997 –0.022
13 7 7 14 7 8 36 842.46 –0.217 0.10 –1.9 16.965 –0.039
13 7 6 14 7 7 36 842.46 –0.217 0.10 –1.9 16.965 –0.039
13 8 6 14 8 7 36 847.90 –0.210 0.15 –1.2 22.691 –0.066
13 8 5 14 8 6 36 847.90 –0.210 0.15 –1.2 22.691 –0.066
13 9 5 14 9 6 36 854.33 –0.062 0.15 –0.4 29.173 –0.104
13 9 4 14 9 5 36 854.33 –0.062 0.15 –0.4 29.173 –0.104
14 0 14 15 0 15 39 380.28 –0.065 0.15 –0.4 –2.181 1.300E-3
14 1 14 15 1 15 38 990.61 0.269 0.15 1.6 –1.783 1.200E-3
14 2 13 15 2 14 39 442.21 –0.087 0.10 –0.8 –0.552 5.900E-4
14 6 9 15 6 10 39 469.32 –0.127 0.15 –0.7 12.570 –0.023
14 6 8 15 6 9 39 469.32 –0.127 0.15 –0.7 12.570 –0.023
14 7 8 15 7 9 39 474.39 0.182 0.15 1.0 17.893 –0.042
14 7 7 15 7 8 39 474.39 0.182 0.15 1.0 17.893 –0.042
14 8 7 15 8 8 39 479.91 –0.072 0.15 –0.4 24.028 –0.071
14 8 6 15 8 7 39 479.91 –0.072 0.15 –0.4 24.028 –0.071
14 9 6 15 9 7 39 486.68 –0.001 0.10 0.0 30.972 –0.112
14 9 5 15 9 6 39 486.68 –0.001 0.10 0.0 30.972 –0.112
14 10 5 15 10 6 39 494.17 –0.088 0.15 –0.5 38.723 –0.169
14 10 4 15 10 5 39 494.17 –0.088 0.15 –0.5 38.723 –0.169
14 11 4 15 11 5 39 502.86 0.178 0.15 1.0 47.276 –0.244
14 11 3 15 11 4 39 502.86 0.178 0.15 1.0 47.276 –0.244
16 3 14 17 3 15 44 728.52 –0.125 0.15 –0.7 0.987 –5.300E-4
16 3 13 17 3 14 44 730.79 0.104 0.15 0.6 0.985 –5.300E-4
16 7 10 17 7 11 44 737.32 0.106 0.10 0.9 19.568 –0.049
16 7 9 17 7 10 44 737.32 0.106 0.10 0.9 19.568 –0.049
16 8 9 17 8 10 44 743.46 –0.181 0.15 –1.0 26.521 –0.082
16 8 8 17 8 9 44 743.46 –0.181 0.15 –1.0 26.521 –0.082
16 9 8 17 9 9 44 751.25 0.096 0.10 0.8 34.391 –0.129
16 9 7 17 9 8 44 751.25 0.096 0.10 0.8 34.391 –0.129
16 11 6 17 11 7 44 769.13 –0.059 0.10 –0.5 52.867 –0.281
16 11 5 17 11 6 44 769.13 –0.059 0.10 –0.5 52.867 –0.281
17 7 11 18 7 12 47 368.58 –0.106 0.10 –0.9 20.308 –0.052
17 7 10 18 7 11 47 368.58 –0.106 0.10 –0.9 20.308 –0.052
17 11 7 18 11 8 47 402.40 0.028 0.15 0.2 55.564 –0.299
17 11 6 18 11 7 47 402.40 0.028 0.15 0.2 55.564 –0.299
18 3 16 19 3 17 49 992.91 –0.087 0.15 –0.5 0.211 5.200E-4
18 3 15 19 3 16 49 996.66 0.094 0.15 0.5 0.208 5.200E-4
18 8 11 19 8 12 50 007.12 –0.054 0.10 –0.5 28.748 –0.093
18 8 10 19 8 11 50 007.12 –0.054 0.10 –0.5 28.748 –0.093
18 9 10 19 9 11 50 015.44 –0.030 0.10 –0.3 37.543 –0.146
18 9 9 19 9 10 50 015.44 –0.030 0.10 –0.3 37.543 –0.146
18 10 9 19 10 10 50 025.11 0.178 0.10 1.5 47.359 –0.220
18 10 8 19 10 9 50 025.11 0.178 0.10 1.5 47.359 –0.220
18 11 8 19 11 9 50 035.49 –0.013 0.10 –0.1 58.191 –0.318
18 11 7 19 11 8 50 035.49 –0.013 0.10 –0.1 58.191 –0.318
19 3 17 20 3 18 52 625.38 0.002 0.15 0.0 –0.287 1.300E-3
19 3 16 20 3 17 52 630.09 0.095 0.15 0.6 –0.290 1.300E-3
19 7 13 20 7 14 52 631.64 0.076 0.15 0.4 21.574 –0.059
19 7 12 20 7 13 52 631.64 0.076 0.15 0.4 21.574 –0.059
19 9 11 20 9 12 52 647.26 –0.304 0.10 –2.6 39.009 –0.155
19 9 10 20 9 11 52 647.26 –0.304 0.10 –2.6 39.009 –0.155
20 3 18 21 3 19 55 258.03 0.138 0.15 0.8 –0.863 2.400E-3
20 3 17 21 3 18 55 263.97 0.183 0.15 1.1 –0.867 2.400E-3
20 4 17 21 4 18 55 253.26 0.109 0.15 0.6 3.161 –3.700E-3
20 4 16 21 4 17 55 253.26 0.040 0.15 0.2 3.161 –3.700E-3
20 5 16 21 5 17 55 253.26 –0.103 0.15 –0.6 8.330 –0.015
20 5 15 21 5 16 55 253.26 –0.103 0.15 –0.6 8.330 –0.015
20 6 15 21 6 16 55 257.34 0.279 0.10 2.4 14.640 –0.033
20 6 14 21 6 15 55 257.34 0.279 0.10 2.4 14.640 –0.033
20 8 13 21 8 14 55 270.66 0.095 0.10 0.8 30.678 –0.104
20 8 12 21 8 13 55 270.66 0.095 0.10 0.8 30.678 –0.104
20 9 12 21 9 13 55 279.77 0.158 0.10 1.4 40.398 –0.164
20 9 11 21 9 12 55 279.77 0.158 0.10 1.4 40.398 –0.164
20 10 11 21 10 12 55 290.07 0.089 0.10 0.8 51.246 –0.246
20 10 10 21 10 11 55 290.07 0.089 0.10 0.8 51.246 –0.246
20 11 10 21 11 11 55 301.56 –0.040 0.10 –0.3 63.217 –0.356
20 11 9 21 11 10 55 301.56 –0.040 0.10 –0.3 63.217 –0.356
20 12 9 21 12 10 55 314.39 –0.031 0.10 –0.3 76.305 –0.498
20 12 8 21 12 9 55 314.39 –0.031 0.10 –0.3 76.305 –0.498
21 6 16 22 6 17 57 888.54 0.225 0.15 1.3 14.721 –0.034
21 6 15 22 6 16 57 888.54 0.225 0.15 1.3 14.721 –0.034
21 8 14 22 8 15 57 902.12 –0.083 0.10 –0.7 31.521 –0.110
21 8 13 22 8 14 57 902.12 –0.083 0.10 –0.7 31.521 –0.110
21 9 13 22 9 14 57 911.60 –0.011 0.10 –0.1 41.704 –0.173
21 9 12 22 9 13 57 911.60 –0.011 0.10 –0.1 41.704 –0.173
21 10 12 22 10 13 57 922.62 0.195 0.10 1.7 53.068 –0.260
21 10 11 22 10 12 57 922.62 0.195 0.10 1.7 53.068 –0.260
21 11 11 22 11 12 57 934.38 –0.180 0.10 –1.6 65.608 –0.375
21 11 10 22 11 11 57 934.38 –0.180 0.10 –1.6 65.608 –0.375
22 7 16 23 7 17 60 525.65 –0.046 0.10 –0.4 22.875 –0.068
22 7 15 23 7 16 60 525.65 –0.046 0.10 –0.4 22.875 –0.068
22 9 14 23 9 15 60 543.54 –0.020 0.10 –0.2 42.924 –0.182
22 9 13 23 9 14 60 543.54 –0.020 0.10 –0.2 42.924 –0.182
22 10 13 23 10 14 60 554.84 0.029 0.10 0.2 54.803 –0.273
22 10 12 23 10 13 60 554.84 0.029 0.10 0.2 54.803 –0.273
22 11 12 23 11 13 60 567.51 0.052 0.10 0.4 67.913 –0.395
22 11 11 23 11 12 60 567.51 0.052 0.10 0.4 67.913 –0.395
23 7 17 24 7 18 63 156.84 –0.179 0.10 –1.5 23.134 –0.070
23 7 16 24 7 17 63 156.84 –0.179 0.10 –1.5 23.134 –0.070
23 8 16 24 8 17 63 165.52 0.166 0.10 1.4 32.947 –0.120
23 8 15 24 8 16 63 165.52 0.166 0.10 1.4 32.947 –0.120
23 9 15 24 9 16 63 175.52 0.064 0.10 0.5 44.054 –0.191
23 9 14 24 9 15 63 175.52 0.064 0.10 0.5 44.054 –0.191
23 10 14 24 10 15 63 187.26 0.122 0.10 1.1 56.449 –0.287
23 10 13 24 10 14 63 187.26 0.122 0.10 1.1 56.449 –0.287
23 11 13 24 11 14 63 200.25 –0.041 0.10 –0.4 70.128 –0.415
23 11 12 24 11 13 63 200.25 –0.041 0.10 –0.4 70.128 –0.415
23 12 12 24 12 13 63 214.97 0.122 0.10 1.1 85.085 –0.580
23 12 11 24 12 12 63 214.97 0.122 0.10 1.1 85.085 –0.580
24 7 18 25 7 19 65 788.42 0.107 0.10 0.9 23.300 –0.073
24 7 17 25 7 18 65 788.42 0.107 0.10 0.9 23.300 –0.073
24 8 17 25 8 18 65 796.73 –0.134 0.10 –1.2 33.521 –0.126
24 8 16 25 8 17 65 796.73 –0.134 0.10 –1.2 33.521 –0.126
24 9 16 25 9 17 65 807.46 0.162 0.15 0.9 45.090 –0.200
24 9 15 25 9 16 65 807.46 0.162 0.15 0.9 45.090 –0.200
24 10 15 25 10 16 65 819.58 0.178 0.10 1.5 58.001 –0.301
24 10 14 25 10 15 65 819.58 0.178 0.10 1.5 58.001 –0.301
24 11 14 25 11 15 65 833.07 0.015 0.10 0.1 72.249 –0.434
24 11 13 25 11 14 65 833.07 0.015 0.10 0.1 72.249 –0.434
24 12 13 25 12 14 65 848.11 –0.072 0.10 –0.6 87.828 –0.607
24 12 12 25 12 13 65 848.11 –0.072 0.10 –0.6 87.828 –0.607
24 15 10 25 15 11 65 901.96 –0.012 0.10 –0.1 142.468 –1.439
24 15 9 25 15 10 65 901.96 –0.012 0.10 –0.1 142.468 –1.439
25 5 21 26 5 22 68 410.36 –0.071 0.15 –0.4 6.333 –0.012
25 5 20 26 5 21 68 410.36 –0.074 0.15 –0.4 6.333 –0.012
25 7 19 26 7 20 68 419.62 0.043 0.10 0.4 23.368 –0.075
25 7 18 26 7 19 68 419.62 0.043 0.10 0.4 23.368 –0.075
25 8 18 26 8 19 68 428.41 0.082 0.10 0.7 33.997 –0.131
25 8 17 26 8 18 68 428.41 0.082 0.10 0.7 33.997 –0.131
25 10 16 26 10 17 68 451.72 0.120 0.10 1.0 59.455 –0.314
25 10 15 26 10 16 68 451.72 0.120 0.10 1.0 59.455 –0.314
25 11 15 26 11 16 68 465.72 –0.028 0.15 –0.2 74.273 –0.454
25 11 14 26 11 15 68 465.72 –0.028 0.15 –0.2 74.273 –0.454
25 12 14 26 12 15 68 481.44 –0.002 0.10 0.0 90.473 –0.635
25 12 13 26 12 14 68 481.44 –0.002 0.10 0.0 90.473 –0.635
26 5 22 27 5 23 71 042.03 0.076 0.15 0.4 5.644 –0.010
26 5 21 27 5 22 71 042.03 0.072 0.15 0.4 5.644 –0.010
26 6 21 27 6 22 71 044.76 0.247 0.15 1.4 13.758 –0.037
26 6 20 27 6 21 71 044.76 0.247 0.15 1.4 13.758 –0.037
26 7 20 27 7 21 71 050.72 –0.089 0.10 –0.8 23.335 –0.077
26 7 19 27 7 20 71 050.72 –0.089 0.10 –0.8 23.335 –0.077
26 8 19 27 8 20 71 059.52 –0.223 0.10 –1.9 34.372 –0.135
26 8 18 27 8 19 71 059.52 –0.223 0.10 –1.9 34.372 –0.135
26 9 18 27 9 19 71 070.88 0.074 0.10 0.6 46.865 –0.217
26 9 17 27 9 18 71 070.88 0.074 0.10 0.6 46.865 –0.217
26 11 16 27 11 17 71 098.55 0.182 0.10 1.6 76.194 –0.474
26 11 15 27 11 16 71 098.55 0.182 0.10 1.6 76.194 –0.474
26 12 15 27 12 16 71 114.43 –0.193 0.10 –1.7 93.017 –0.663
26 12 14 27 12 15 71 114.43 –0.193 0.10 –1.7 93.017 –0.663
27 7 21 28 7 22 73 681.91 –0.099 0.10 –0.9 23.196 –0.078
27 7 20 28 7 21 73 681.91 –0.099 0.10 –0.9 23.196 –0.078
27 8 20 28 8 21 73 690.90 –0.208 0.10 –1.8 34.642 –0.140
27 8 19 28 8 20 73 690.90 –0.208 0.10 –1.8 34.642 –0.140
27 9 19 28 9 20 73 702.39 –0.078 0.10 –0.7 47.597 –0.225
27 9 18 28 9 19 73 702.39 –0.078 0.10 –0.7 47.597 –0.225
27 11 17 28 11 18 73 731.16 0.249 0.10 2.1 78.010 –0.494
27 11 16 28 11 17 73 731.16 0.249 0.10 2.1 78.010 –0.494
27 12 16 28 12 17 73 747.51 –0.212 0.10 –1.8 95.455 –0.692
27 12 15 28 12 16 73 747.51 –0.212 0.10 –1.8 95.455 –0.692
28 9 20 29 9 21 76 333.99 –0.077 0.15 –0.4 48.219 –0.233
28 9 19 29 9 20 76 333.99 –0.077 0.15 –0.4 48.219 –0.233
29 9 21 30 9 22 78 965.56 –0.039 0.15 –0.2 48.728 –0.241
29 9 20 30 9 21 78 965.56 –0.039 0.15 –0.2 48.728 –0.241
29 10 20 30 10 21 78 979.96 0.267 0.15 1.5 64.217 –0.367
29 10 19 30 10 20 78 979.96 0.267 0.15 1.5 64.217 –0.367
29 11 19 30 11 20 78 995.91 0.153 0.15 0.9 81.310 –0.534
29 11 18 30 11 19 78 995.91 0.153 0.15 0.9 81.310 –0.534
29 12 18 30 12 19 79 013.64 –0.026 0.15 –0.1 99.998 –0.748
29 12 17 30 12 18 79 013.64 –0.026 0.15 –0.1 99.998 –0.748
30 9 22 31 9 23 81 597.12 0.057 0.10 0.5 49.120 –0.248
30 9 21 31 9 22 81 597.12 0.057 0.10 0.5 49.120 –0.248
30 12 19 31 12 20 81 646.33 –0.173 0.10 –1.5 102.095 –0.776
30 12 18 31 12 19 81 646.33 –0.173 0.10 –1.5 102.095 –0.776
30 13 18 31 13 19 81 666.77 –0.015 0.10 –0.1 123.044 –1.058
30 13 17 31 13 18 81 666.77 –0.015 0.10 –0.1 123.044 –1.058
31 9 23 32 9 24 84 228.35 –0.106 0.10 –0.9 49.392 –0.255
31 9 22 32 9 23 84 228.35 –0.106 0.10 –0.9 49.392 –0.255
31 10 22 32 10 23 84 243.38 0.098 0.15 0.6 65.911 –0.392
31 10 21 32 10 22 84 243.38 0.098 0.15 0.6 65.911 –0.392
31 12 20 32 12 21 84 279.20 –0.048 0.15 –0.3 104.071 –0.804
31 12 19 32 12 20 84 279.20 –0.048 0.15 –0.3 104.071 –0.804
31 13 19 32 13 20 84 300.12 –0.017 0.10 –0.1 125.694 –1.097
31 13 18 32 13 19 84 300.12 –0.017 0.10 –0.1 125.694 –1.097
32 8 25 33 8 26 86 846.94 –0.183 0.15 –1.1 34.274 –0.154
32 8 24 33 8 25 86 846.94 –0.183 0.15 –1.1 34.274 –0.154
32 9 24 33 9 25 86 859.70 –0.076 0.15 –0.4 49.538 –0.261
32 9 23 33 9 24 86 859.70 –0.076 0.15 –0.4 49.538 –0.261
32 10 23 33 10 24 86 874.75 –0.203 0.10 –1.8 66.573 –0.404
32 10 22 33 10 23 86 874.75 –0.203 0.10 –1.8 66.573 –0.404
32 13 20 33 13 21 86 933.30 –0.088 0.10 –0.8 128.220 –1.136
32 13 19 33 13 20 86 933.30 –0.088 0.10 –0.8 128.220 –1.136
33 7 27 34 7 28 89 468.20 –0.258 0.15 –1.5 19.937 –0.074
33 7 26 34 7 27 89 468.20 –0.258 0.15 –1.5 19.937 –0.074
33 9 25 34 9 26 89 490.72 –0.300 0.15 –1.7 49.556 –0.267
33 9 24 34 9 25 89 490.72 –0.300 0.15 –1.7 49.556 –0.267
34 4 31 35 4 32 92 108.79 –0.321 0.15 –1.9 –12.608 0.057
34 4 30 35 4 31 92 111.61 0.020 0.15 0.1 –12.615 0.057
35 10 26 36 10 27 94 769.52 0.076 0.15 0.4 67.771 –0.436
35 10 25 36 10 26 94 769.52 0.076 0.15 0.4 67.771 –0.436
35 11 25 36 11 26 94 788.13 –0.039 0.10 –0.3 88.273 –0.646
35 11 24 36 11 25 94 788.13 –0.039 0.10 –0.3 88.273 –0.646
35 12 24 36 12 25 94 809.22 –0.017 0.10 –0.1 110.688 –0.914
35 12 23 36 12 24 94 809.22 –0.017 0.10 –0.1 110.688 –0.914
35 13 23 36 13 24 94 832.38 –0.129 0.10 –1.1 135.006 –1.252
35 13 22 36 13 23 94 832.38 –0.129 0.10 –1.1 135.006 –1.252
36 10 27 37 10 28 97 400.66 –0.098 0.10 –0.8 67.895 –0.445
36 10 26 37 10 27 97 400.66 –0.098 0.10 –0.8 67.895 –0.445
36 11 26 37 11 27 97 419.99 0.092 0.10 0.8 88.965 –0.663
36 11 25 37 11 26 97 419.99 0.092 0.10 0.8 88.965 –0.663
36 12 25 37 12 26 97 441.65 0.178 0.10 1.5 112.001 –0.941
36 12 24 37 12 25 97 441.65 0.178 0.10 1.5 112.001 –0.941
36 13 24 37 13 25 97 465.23 –0.098 0.10 –0.8 136.992 –1.290
36 13 23 37 13 24 97 465.23 –0.098 0.10 –0.8 136.992 –1.290
37 8 30 38 8 31 100 001.72 0.099 0.10 0.9 30.696 –0.149
37 8 29 38 8 30 100 001.72 0.099 0.10 0.9 30.696 –0.149
37 9 29 38 9 30 100 015.12 –0.084 0.15 –0.5 48.267 –0.279
37 9 28 38 9 29 100 015.12 –0.084 0.15 –0.5 48.267 –0.279
37 10 28 38 10 29 100 032.08 0.104 0.10 0.9 67.876 –0.453
37 10 27 38 10 28 100 032.08 0.104 0.10 0.9 67.876 –0.453
37 11 27 38 11 28 100 051.48 –0.044 0.10 –0.4 89.513 –0.679
37 11 26 38 11 27 100 051.48 –0.044 0.10 –0.4 89.513 –0.679
37 12 26 38 12 27 100 073.67 0.074 0.10 0.6 113.170 –0.967
37 12 25 38 12 26 100 073.67 0.074 0.10 0.6 113.170 –0.967
37 13 25 38 13 26 100 098.28 0.249 0.10 2.2 138.834 –1.327
37 13 24 38 13 25 100 098.28 0.249 0.10 2.2 138.834 –1.327
38 6 33 39 6 34 102 618.67 –0.128 0.10 –1.1 –0.213 0.029
38 6 32 39 6 33 102 618.67 –0.130 0.10 –1.2 –0.213 0.029
38 8 31 39 8 32 102 632.36 0.041 0.10 0.4 29.553 –0.144
38 8 30 39 8 31 102 632.36 0.041 0.10 0.4 29.553 –0.144
38 9 30 39 9 31 102 645.97 –0.070 0.15 –0.4 47.586 –0.280
38 9 29 39 9 30 102 645.97 –0.070 0.15 –0.4 47.586 –0.280
38 10 29 39 10 30 102 663.03 –0.067 0.10 –0.6 67.709 –0.460
38 10 28 39 10 29 102 663.03 –0.067 0.10 –0.6 67.709 –0.460
38 11 28 39 11 29 102 683.23 0.187 0.10 1.6 89.914 –0.694
38 11 27 39 11 28 102 683.23 0.187 0.10 1.6 89.914 –0.694
38 12 27 39 12 28 102 705.62 0.013 0.10 0.1 114.190 –0.991
38 12 26 39 12 27 102 705.62 0.013 0.10 0.1 114.190 –0.991
38 13 26 39 13 27 102 730.60 –0.015 0.10 –0.1 140.528 –1.364
38 13 25 39 13 26 102 730.60 –0.015 0.10 –0.1 140.528 –1.364
39 6 34 40 6 35 105 249.86 –0.086 0.10 –0.8 –2.270 0.042
39 6 33 40 6 34 105 249.86 –0.088 0.10 –0.8 –2.270 0.042
39 8 32 40 8 33 105 263.05 0.104 0.10 0.9 28.259 –0.137
39 8 31 40 8 32 105 263.05 0.104 0.10 0.9 28.259 –0.137
39 10 30 40 10 31 105 293.84 –0.277 0.15 –1.6 67.390 –0.466
39 10 29 40 10 30 105 293.84 –0.277 0.15 –1.6 67.390 –0.466
39 11 29 40 11 30 105 314.51 0.058 0.10 0.5 90.162 –0.708
39 11 28 40 11 29 105 314.51 0.058 0.10 0.5 90.162 –0.708
39 12 28 40 12 29 105 337.63 0.129 0.10 1.1 115.060 –1.016
39 12 27 40 12 28 105 337.63 0.129 0.10 1.1 115.060 –1.016
39 15 25 40 15 26 105 421.31 –0.026 0.10 –0.2 202.380 –2.455
39 15 24 40 15 25 105 421.31 –0.026 0.10 –0.2 202.380 –2.455
40 6 35 41 6 36 107 881.30 0.212 0.20 0.9 –4.483 0.058
40 6 34 41 6 35 107 881.30 0.210 0.20 0.9 –4.483 0.058
40 8 33 41 8 34 107 893.67 0.170 0.10 1.5 26.810 –0.129
40 8 32 41 8 33 107 893.67 0.170 0.10 1.5 26.810 –0.129
40 11 30 41 11 31 107 945.72 –0.029 0.10 –0.2 90.256 –0.721
40 11 29 41 11 30 107 945.72 –0.029 0.10 –0.2 90.256 –0.721
40 13 28 41 13 29 107 995.32 –0.094 0.10 –0.8 143.456 –1.436
40 13 27 41 13 28 107 995.32 –0.094 0.10 –0.8 143.456 –1.436
40 15 26 41 15 27 108 055.13 0.113 0.10 1.0 205.268 –2.523
40 15 25 41 15 26 108 055.13 0.113 0.10 1.0 205.268 –2.523
40 17 24 41 17 25 108 123.93 0.077 0.15 0.5 275.577 –4.098
40 17 23 41 17 24 108 123.93 0.077 0.15 0.5 275.577 –4.098
41 6 36 42 6 37 110 512.31 0.087 0.15 0.5 –6.854 0.076
41 6 35 42 6 36 110 512.31 0.084 0.15 0.5 –6.854 0.076
41 11 31 42 11 32 110 576.88 –0.051 0.10 –0.4 90.190 –0.732
41 11 30 42 11 31 110 576.88 –0.051 0.10 –0.4 90.190 –0.732
41 12 30 42 12 31 110 601.18 0.251 0.10 2.2 116.327 –1.061
41 12 29 42 12 30 110 601.18 0.251 0.10 2.2 116.327 –1.061
41 13 29 42 13 30 110 627.56 –0.064 0.10 –0.6 144.683 –1.471
41 13 28 42 13 29 110 627.56 –0.064 0.10 –0.6 144.683 –1.471
41 15 27 42 15 28 110 688.77 0.208 0.15 1.2 207.996 –2.591
41 15 26 42 15 27 110 688.77 0.208 0.15 1.2 207.996 –2.591
42 9 34 43 9 35 113 168.59 0.111 0.10 1.0 43.307 –0.266
42 9 33 43 9 34 113 168.59 0.111 0.10 1.0 43.307 –0.266
42 10 33 43 10 34 113 186.55 0.001 0.10 0.0 65.487 –0.474
42 10 32 43 10 33 113 186.55 0.001 0.10 0.0 65.487 –0.474
42 11 32 43 11 33 113 207.96 –0.035 0.10 –0.3 89.961 –0.742
42 11 31 43 11 32 113 207.96 –0.035 0.10 –0.3 89.961 –0.742
42 12 31 43 12 32 113 232.63 0.174 0.10 1.5 116.718 –1.081
42 12 30 43 12 31 113 232.63 0.174 0.10 1.5 116.718 –1.081
42 13 30 43 13 31 113 259.61 –0.092 0.10 –0.8 145.746 –1.504
42 13 29 43 13 30 113 259.61 –0.092 0.10 –0.8 145.746 –1.504
42 14 29 43 14 30 113 289.55 –0.026 0.15 –0.1 177.032 –2.025
42 14 28 43 14 29 113 289.55 –0.026 0.15 –0.1 177.032 –2.025
42 15 28 43 15 29 113 321.90 –0.067 0.10 –0.6 210.561 –2.658
42 15 27 43 15 28 113 321.90 –0.067 0.10 –0.6 210.561 –2.658
43 9 35 44 9 36 115 798.80 –0.051 0.10 –0.5 41.831 –0.258
43 9 34 44 9 35 115 798.80 –0.051 0.10 –0.5 41.831 –0.258
43 10 34 44 10 35 115 816.90 –0.242 0.15 –1.4 64.525 –0.473
43 10 33 44 10 34 115 816.90 –0.242 0.15 –1.4 64.525 –0.473
43 11 33 44 11 34 115 839.00 0.061 0.10 0.5 89.566 –0.750
43 11 32 44 11 33 115 839.00 0.061 0.10 0.5 89.566 –0.750
43 12 32 44 12 33 115 863.80 –0.056 0.10 –0.5 116.943 –1.100
43 12 31 44 12 32 115 863.80 –0.056 0.10 –0.5 116.943 –1.100
43 13 31 44 13 32 115 891.50 –0.146 0.10 –1.3 146.643 –1.537
43 13 30 44 13 31 115 891.50 –0.146 0.10 –1.3 146.643 –1.537
43 14 30 44 14 31 115 921.90 –0.244 0.10 –2.2 178.653 –2.073
43 14 29 44 14 30 115 921.90 –0.244 0.10 –2.2 178.653 –2.073
43 15 29 44 15 30 115 955.30 0.070 0.10 0.6 212.957 –2.725
43 15 28 44 15 29 115 955.30 0.070 0.10 0.6 212.957 –2.725
 
rms deviation: 1.1597
Rotational constants (MHz) and kappa:
21750 1344.8187 1285.4798 –0.994201
+  − 21 0.0030 0.0029 0.000006
Inertial constants and defect (uÅ2):
23.236 375.79717 393.14433 –5.889
+  − 0.022 0.00085 0.00089 0.023
Quartic distortion constants:
0.162867 –13.6967 0 0 0
+  − 0.00068 0.0090 fixed fixed fixed
Standard distortion constants (kHz):
54.13540 –0.651467 –0.651467 26.74197 –0.651467 26.74197
Sextic and higher distortion constants:
0.0002868 –0.008587 –0.5276 fixed fixed
+  − 0.00020 0.0032 0.039 fixed fixed
+  − fixed fixed
Significant Digits and Correlation Matrix:
5 0.206 –0.283 –0.391 0.142 –0.116 –0.325 0.286
8 –0.889 0.167 0.179 0.109 0.089 0.062
8 0.135 0.031 0.084 0.063 –0.019
6 –0.312 0.849 0.074 –0.267
6 –0.384 0.289 0.559
4 –0.427 0.060
4 –0.593
4

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