Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 1 2 3 3 4 5 5 6 6 6 6 6 6 6 6 6 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 446 RIJ-COSX (HFX calculated with COS-X)) on IntName METHAMIDOPHOS_3 HFTyp RHF Charge 1 Mult 1 NEL 74 Dim 365 ENuc 529.4478152275 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 4.579e-04 Time for diagonalization 0.019 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.881 sec Total time needed 0.906 sec Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 446 RIJ-COSX (HFX calculated with COS-X)) on IntName METHAMIDOPHOS_3 HFTyp RHF Charge 1 Mult 1 NEL 74 Dim 365 ENuc 530.2140656891 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 4.557e-04 Time for diagonalization 0.026 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.080 sec Total time needed 0.275 sec 1 1 wB97X-D3 TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 maxcore 6144 pal nprocs 8 chelpg grid 0.1 rmax 3.0 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; -1026.265783466664 -1026.265800741152 -1026.265810688497 -1026.265811476213 -1026.265812195890 -1026.265812552032 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 0.867545 0.152535 0.096155 -0.180144 0.187531 -0.116453 0.005475 -0.018109 -0.024699 0.018693 0.018937 0.015189 0.017001 0.022255 0.013556 -0.075466 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 15.8208 14.2727 8.3154 8.4250 7.3137 6.2162 6.1122 0.7852 0.7997 0.8427 0.8491 0.8386 0.8535 0.8584 0.8681 0.8288 16.0000 15.0000 8.0000 8.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1792 0.7273 -0.3154 -0.4250 -0.3137 -0.2162 -0.1122 0.2148 0.2003 0.1573 0.1509 0.1614 0.1465 0.1416 0.1319 0.1712 2.8848 5.5564 2.1499 2.2119 3.2261 3.8376 3.7918 0.9973 1.0068 0.9998 1.0007 1.0086 0.9882 0.9860 0.9906 0.9946 2.8848 5.5564 2.1499 2.2119 3.2261 3.8376 3.7918 0.9973 1.0068 0.9998 1.0007 1.0086 0.9882 0.9860 0.9906 0.9946 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.7842 0.9549 0.9693 1.2664 2.1042 1.2672 0.8275 0.9426 0.9497 0.9552 0.9522 0.9603 0.9716 0.9702 0.9772 0 1 0 5 0 15 1 2 1 3 1 4 2 6 4 7 4 8 5 9 5 10 5 11 6 12 6 13 6 14 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 0.179239 0.727277 -0.315371 -0.424972 -0.313708 -0.216197 -0.112198 0.214775 0.200341 0.157259 0.150927 0.161436 0.146465 0.141574 0.131909 0.171246 0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2427.4474 -2107.4079 -529.2321 -527.1480 -397.7499 -285.4986 -285.4672 -225.9492 -188.7498 -170.2158 -170.1849 -170.0743 -138.5197 -138.4701 -138.4040 -37.2685 -34.7033 -32.4165 -30.8413 -27.3482 -26.3713 -23.6611 -22.2176 -21.6214 -21.1474 -20.4649 -19.9376 -19.5956 -18.9223 -18.6439 -18.2547 -17.3679 -16.9198 -16.3461 -15.7363 -15.6195 -15.4340 -2.9834 -2.8156 -1.9701 -1.1140 -0.6123 -0.2074 0.2273 0.3718 0.5887 0.8559 1.4661 1.4857 1.8644 2.0799 2.5467 2.9340 3.0594 3.4534 4.0462 4.2161 4.5463 4.8686 5.3554 5.5425 5.8164 6.2467 6.3725 6.8404 7.0684 7.3972 7.8140 7.8892 8.6249 8.9933 9.1775 9.5478 10.0641 10.1762 10.4096 10.5861 10.7835 10.9749 11.2001 11.2757 11.6870 11.9731 12.3866 12.7905 13.2425 13.3318 14.3126 14.8732 15.3225 15.8238 16.2889 16.6473 17.0998 17.4817 18.1237 18.2109 19.1718 19.4167 19.9008 20.3098 21.1712 21.4307 21.9783 22.2805 22.5167 22.9904 23.2653 23.3946 23.9233 24.1273 24.5646 24.7439 25.4219 25.7045 26.1401 26.3909 26.8805 27.2327 27.9478 28.4526 28.8945 29.3618 30.0059 30.5715 31.1419 31.6977 31.7922 32.1726 32.7524 33.6867 34.0215 34.2600 34.9756 35.4293 35.5034 35.8687 36.3843 36.7766 36.9664 37.1199 37.3284 37.3646 37.7966 38.5727 38.8932 39.2364 39.5292 39.7634 40.0545 40.4661 40.9957 41.3156 41.8853 42.1678 42.9116 43.2484 43.7384 43.9514 44.8919 45.2702 45.5988 46.8470 47.3490 48.0016 48.6532 49.0249 49.3666 49.6298 50.3967 51.7140 52.1739 53.2910 53.8171 54.8470 56.2764 56.7084 57.0834 57.8424 59.1335 60.0091 60.2992 60.7870 61.0859 61.8737 62.3076 63.2625 63.8061 65.9395 66.5147 66.9028 67.1680 67.8466 68.3796 68.6625 70.0152 71.0183 71.5702 73.3358 73.9452 74.4883 74.5462 75.4347 76.2285 76.7408 77.2827 77.6635 77.8387 78.4709 78.5420 78.8546 79.0067 79.8863 80.1690 80.7619 81.2064 81.5193 82.1169 83.0368 83.8351 83.9703 84.5204 85.0398 85.6641 86.9984 87.3917 87.8765 88.1291 88.3164 89.0011 89.2705 90.3662 91.7557 92.3780 92.6136 92.9586 93.7230 94.1127 94.8837 95.2490 95.4717 96.3565 96.7422 96.9215 97.1220 97.9701 98.3747 99.4246 99.8117 101.8626 102.1987 102.5852 102.9680 103.4325 103.5004 103.9774 105.0268 105.7189 106.2135 106.4946 106.7339 107.1170 107.4534 107.5742 108.0908 108.2070 108.6622 109.0974 109.2248 110.3314 110.5166 111.7547 111.9383 111.9702 112.2082 113.5575 113.8135 116.9253 119.2943 119.4985 119.8258 121.5426 121.7061 121.8284 122.0309 122.5382 122.7756 124.9787 125.4222 127.8451 129.1348 129.6137 132.1775 132.7170 134.9021 135.0943 135.5031 136.0156 137.4203 138.4289 139.1178 139.2656 139.7697 140.3389 140.5475 140.7399 141.5455 141.8628 142.0011 142.1872 142.4991 142.8958 143.6142 144.2794 145.8908 147.3808 148.6336 148.9758 149.0528 149.3930 149.6819 150.3769 150.6131 151.9873 152.1849 154.4415 155.6564 157.7555 160.8137 162.0182 163.6618 165.3851 166.6558 171.2047 171.5546 172.0246 173.3376 176.1495 176.7371 179.3644 181.6647 182.5454 182.9597 183.4086 184.0000 186.8247 187.5565 187.8168 189.5286 193.7604 194.8105 198.0435 207.2202 224.7524 234.2742 246.6595 251.5980 253.3676 471.4868 549.1165 636.0025 637.1406 884.5035 1189.1723 1196.3453 0.00 0.00 0.00 0.00 0.00 0.00 52.36 68.09 80.28 132.20 160.80 177.73 226.28 237.83 318.98 338.08 411.61 435.47 468.76 540.57 686.96 722.55 788.76 829.53 931.96 1000.54 1007.37 1091.62 1105.78 1180.21 1203.82 1367.67 1387.48 1465.00 1474.08 1491.91 1499.86 1502.52 1578.11 2711.94 3091.74 3093.23 3191.97 3202.00 3211.63 3220.26 3613.05 3726.02 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.015586 0.038780 0.052935 -0.013539 0.051597 -0.012334 0.010184 0.050074 -0.025225 -0.062471 0.045552 -0.007454 0.019614 0.052596 -0.038700 -0.144657 -0.170554 -0.128522 0.167115 -0.152109 0.103277 0.018836 0.059695 -0.049053 0.031565 0.043105 -0.044021 -0.139231 -0.251721 -0.082779 -0.210701 -0.067594 -0.286576 -0.170692 -0.304496 -0.120214 0.258630 -0.012834 0.137774 0.319964 -0.238270 0.210355 0.036700 -0.342811 0.052027 0.064978 -0.107872 0.235122 0.020243 0.062603 0.039825 0.019801 -0.009693 0.038807 0.144901 -0.134371 0.132865 0.024820 0.139958 0.043600 -0.127678 -0.121383 -0.063556 -0.038693 -0.113352 -0.161751 -0.078935 0.124528 -0.111822 -0.229336 -0.090665 -0.122022 -0.029087 -0.194366 -0.106646 -0.037391 -0.134701 -0.150467 -0.073082 -0.030293 -0.306846 -0.037833 -0.261513 -0.144009 -0.370429 0.156757 -0.086429 -0.105972 0.102508 -0.080415 0.082947 0.282424 -0.332979 0.029869 -0.058563 0.212824 0.007142 0.005527 0.010810 -0.000261 0.003329 -0.004440 0.009510 -0.006101 0.001110 -0.006011 0.020094 -0.003341 -0.013434 -0.011284 -0.023419 -0.016310 -0.016323 -0.003084 0.013048 -0.004101 0.015806 -0.022555 -0.003712 -0.035679 -0.001539 -0.025563 -0.029019 -0.015122 -0.026287 0.007341 -0.022368 -0.005311 -0.021030 -0.024069 -0.028650 -0.003829 0.275201 -0.484523 -0.135448 -0.285905 0.298275 -0.374518 0.041233 0.185395 0.559929 0.006001 -0.009658 0.034136 0.030564 0.058340 0.069013 -0.023892 -0.048353 -0.027659 -0.085649 -0.024688 -0.018527 -0.115646 -0.059925 -0.019117 0.115821 -0.011141 -0.088560 0.175999 0.003923 -0.113142 -0.102572 0.067930 0.143611 0.107982 -0.003240 -0.101307 0.133385 -0.020262 -0.096273 0.194180 0.283040 0.059086 0.459707 -0.003858 -0.371731 -0.003797 -0.283507 -0.129932 -0.030636 0.153163 0.163608 -0.205178 0.018058 0.217925 -0.077838 0.106466 0.162065 -0.105157 0.022018 0.216508 0.076802 0.060586 0.011680 0.030925 -0.027165 -0.081734 0.000619 -0.019474 -0.078150 0.135202 -0.108380 -0.092925 -0.151963 -0.052390 0.048258 -0.175418 -0.003186 0.107620 -0.022415 0.114227 0.139015 -0.104697 -0.064286 0.071732 -0.200023 -0.024410 0.068701 -0.138213 0.037306 0.451880 -0.019132 0.021605 -0.097708 -0.511097 -0.080514 0.021557 0.053188 0.264701 0.177911 -0.146643 0.021797 0.272286 0.009360 0.153740 0.125012 -0.022504 0.012012 0.154584 0.017183 0.035107 0.020560 0.003774 -0.018558 -0.015136 0.010439 -0.015992 -0.028022 -0.040992 -0.051452 -0.012474 0.004208 -0.019281 -0.018251 -0.003363 0.006313 -0.009438 -0.007444 0.048205 0.054484 -0.023596 -0.024442 -0.014755 0.018607 -0.021110 -0.024132 -0.050825 -0.361319 -0.454681 -0.471482 0.064421 0.317822 0.443097 0.265618 0.085605 0.020930 0.099643 0.067610 -0.069245 0.017677 0.099849 0.012770 0.076134 0.055853 0.012479 0.025794 0.037618 0.091793 -0.005285 0.100534 -0.050689 0.018222 -0.018782 -0.216940 0.107815 -0.019088 0.228147 0.081810 -0.045044 -0.154182 -0.033095 -0.022961 0.146381 -0.062880 -0.009412 -0.106513 -0.116700 -0.073735 0.259705 0.135926 -0.212166 -0.377264 -0.155167 0.056550 0.123024 -0.151289 -0.235266 -0.010560 -0.033326 0.078550 0.364587 -0.038308 0.048270 -0.080486 -0.158772 -0.087407 0.064643 -0.092374 -0.117805 -0.207698 -0.252333 -0.065843 -0.008353 -0.056230 0.242437 -0.045552 0.147645 0.005913 0.038147 -0.079644 0.002541 -0.107971 -0.082968 0.117993 0.175720 -0.009287 -0.006614 0.320232 0.008234 -0.092106 -0.217640 0.091682 0.021553 -0.134196 -0.149141 -0.071007 0.247900 -0.020132 -0.061606 0.146928 -0.036205 -0.026727 -0.212111 -0.077553 0.083038 -0.333950 0.146370 0.013120 -0.263937 0.142286 0.002542 -0.231649 -0.254865 -0.096435 -0.039589 -0.081374 -0.169341 -0.127623 -0.149857 -0.099528 -0.242165 0.117207 0.190177 0.152756 0.012796 -0.058079 -0.048900 -0.019641 -0.065595 -0.031071 -0.123730 0.083418 -0.100424 0.124500 -0.054954 -0.009412 0.107155 0.174910 0.017524 -0.015709 0.011849 -0.100195 -0.099354 0.009712 -0.153310 -0.159392 0.546523 0.298470 0.559867 0.085678 0.021467 -0.129550 0.042590 -0.065201 0.006632 0.044196 0.000218 0.055142 -0.001052 -0.148497 -0.136188 0.000754 -0.090567 -0.067649 -0.033844 -0.059391 -0.052715 -0.011601 0.043894 -0.009790 0.050397 0.182184 0.037370 -0.138410 -0.021012 0.021412 0.113265 -0.077658 0.096387 0.070805 -0.136876 -0.121523 0.118648 -0.050766 -0.089488 -0.087041 -0.063369 0.020964 0.009547 -0.040079 -0.017912 -0.016654 0.307799 0.215476 -0.484974 0.056413 -0.356851 -0.147413 -0.040849 -0.137724 0.221257 -0.109062 0.051976 -0.013890 -0.236805 0.093984 -0.047361 -0.074493 -0.063581 -0.028268 0.070326 0.010792 -0.062381 -0.078306 -0.074720 -0.035046 0.299351 0.020222 -0.192960 -0.024359 0.001897 0.010000 -0.008172 0.001252 -0.005246 0.014600 -0.008506 0.005874 0.032414 -0.015401 -0.012048 -0.072893 -0.019419 0.025400 -0.001949 0.008206 -0.001592 0.007600 -0.000704 0.003590 0.472927 0.171857 -0.178232 0.749875 0.249835 -0.279706 -0.003792 0.021079 -0.016319 0.001161 0.004108 0.004663 0.007196 0.008169 0.000907 0.007850 0.000917 0.004054 0.004930 -0.001231 0.004689 0.017553 0.010551 0.000986 -0.032442 -0.004189 0.023352 -0.003752 0.028338 -0.038139 0.079862 -0.202897 0.058617 -0.087243 0.095807 -0.312297 -0.094702 0.382742 0.110427 0.038950 -0.232669 0.153799 -0.056737 0.036273 -0.006174 0.024551 0.047287 -0.002150 0.576176 -0.129935 0.071136 0.029853 -0.122518 0.170704 -0.049293 -0.035722 0.075760 -0.077371 0.046337 -0.011917 -0.111517 0.064459 -0.023364 0.240641 0.187131 0.026217 -0.049560 -0.048279 0.132657 -0.041259 -0.016865 0.090777 -0.122268 0.030664 0.045977 -0.006109 0.001528 0.002644 -0.011190 0.002352 -0.022696 0.053391 -0.057528 0.029432 -0.037434 -0.002627 -0.023464 0.000293 0.033834 0.034546 -0.003118 0.003537 -0.003448 0.006335 0.003240 0.000727 0.773822 0.216861 -0.122612 -0.514332 0.004791 0.235143 -0.003136 -0.000341 -0.003055 -0.004986 0.006134 -0.007312 -0.004519 -0.003025 -0.003161 -0.030813 -0.004773 0.000202 -0.028959 0.012730 -0.009638 0.045087 0.051121 -0.012258 0.010314 -0.000502 -0.006333 0.089705 0.000384 -0.051809 -0.501352 -0.064123 0.158693 0.190945 -0.150502 -0.250156 0.303237 0.055244 0.089718 0.194506 0.121113 -0.092390 0.006596 -0.003570 0.006095 0.128590 0.115476 0.015317 -0.033783 0.077688 -0.053131 0.061131 0.024056 -0.051011 0.017774 -0.125157 0.119417 -0.017357 -0.008729 0.042062 -0.042379 0.028831 -0.013174 0.246248 0.269786 0.056108 -0.183592 0.002801 0.191609 0.215099 0.249174 0.059434 0.132060 -0.064721 -0.004650 0.036328 -0.068215 0.091721 0.000659 0.001060 -0.002785 0.000463 -0.014100 -0.023919 0.010052 0.005729 -0.004824 -0.001000 -0.004277 0.001458 -0.089625 0.179845 -0.116271 -0.034969 -0.022396 0.006063 -0.004589 -0.028309 0.036546 0.015552 0.033353 -0.002063 -0.089467 0.056696 -0.125778 -0.114476 0.260524 -0.278753 -0.056073 -0.057331 -0.080075 -0.018096 -0.006652 0.009050 -0.044094 -0.025152 0.010576 -0.021414 -0.005103 0.006640 0.488607 0.225180 -0.658639 0.044171 -0.082931 0.007059 -0.009764 -0.002467 -0.000776 -0.005376 0.022330 0.037745 -0.009718 -0.005527 0.000028 -0.002582 -0.002647 0.002990 -0.074451 0.155919 -0.104082 0.051044 0.033897 -0.008614 -0.018897 0.004922 -0.010288 -0.021459 -0.027047 0.008267 -0.071735 0.180054 -0.090171 0.008107 0.047537 0.052937 -0.030024 0.219814 -0.099290 0.025709 0.009351 -0.013425 0.067233 0.039420 -0.017118 0.031373 0.008318 -0.010882 -0.540808 -0.260583 0.681109 0.001167 0.007080 0.006780 -0.079126 -0.075998 -0.043785 -0.080942 0.123659 0.201663 -0.003322 0.002351 -0.095576 0.037783 -0.124738 -0.007148 0.024420 -0.017156 0.024746 0.212158 0.152216 -0.032988 0.140750 -0.316020 0.284560 -0.035069 0.217016 0.048583 0.024137 -0.198815 0.030805 -0.112975 0.126844 -0.168100 -0.020459 -0.178625 0.029884 0.073568 0.021888 -0.060001 0.334159 0.203046 -0.106131 0.131650 0.039835 -0.064879 -0.148050 0.318914 -0.351212 0.012713 -0.018706 -0.005791 0.012821 0.011738 0.009422 0.010383 -0.022065 -0.026920 -0.000894 -0.001237 0.022231 -0.015096 0.040935 0.006600 0.032606 0.002636 0.027722 -0.013767 -0.012725 0.000241 -0.050059 0.112651 -0.102199 0.012141 -0.081820 -0.014187 0.031154 -0.260127 0.019060 -0.191058 0.224924 -0.257534 -0.032623 -0.238372 0.035712 0.000565 0.002055 0.003848 -0.039470 -0.023904 0.015729 -0.010305 -0.005473 0.008925 -0.683982 0.425573 -0.165208 -0.001010 0.003235 0.004803 -0.027230 0.000055 -0.030004 0.001624 -0.001515 0.029663 -0.013887 0.023165 -0.089514 0.057896 -0.009593 0.154856 -0.004811 -0.004381 0.000360 0.014572 0.009487 0.000419 -0.235600 0.340125 -0.408193 0.213625 -0.748756 0.044600 -0.007669 0.035470 -0.026046 0.026187 -0.024405 0.015165 0.019959 0.001085 0.006926 -0.005193 -0.004611 -0.002886 0.034115 0.024806 -0.020459 0.016391 0.008133 -0.011320 0.080876 -0.007609 -0.039790 -0.021380 -0.011022 0.009783 -0.042212 0.123226 -0.006080 0.115550 0.068926 -0.026547 -0.001144 -0.015117 -0.060377 0.080001 -0.216366 0.048466 0.086939 0.013542 -0.051454 -0.125887 -0.067902 0.038643 0.170700 -0.366354 0.272526 0.040689 -0.058832 0.083602 0.132375 -0.395325 0.375602 -0.219842 0.094111 0.070478 -0.317505 0.252988 -0.192805 -0.061596 -0.054728 0.036196 -0.019023 -0.032398 -0.012297 -0.105225 -0.050008 0.014760 -0.106909 -0.025125 0.086426 -0.020229 -0.002485 0.025685 0.018468 -0.047286 -0.002309 -0.040044 -0.023203 0.011689 0.000854 0.006818 0.014768 -0.035607 0.090514 -0.014036 0.088416 -0.000411 -0.084333 0.044091 0.024161 -0.013040 -0.097245 0.158278 -0.117068 -0.015524 0.003642 -0.032336 0.148760 -0.391976 0.474239 -0.204888 0.007686 0.184320 -0.393698 0.444424 -0.269750 0.025360 0.019506 -0.012516 0.013323 0.013990 0.001675 0.036481 0.016689 -0.005218 0.101257 -0.020892 -0.033945 -0.010117 -0.005976 -0.008174 -0.021051 -0.197436 -0.009760 0.287476 0.299608 0.044094 -0.001223 0.017304 -0.054942 -0.053667 0.137709 -0.050254 0.000770 0.023641 0.017840 -0.236171 -0.082505 0.143502 -0.153663 0.207837 -0.167304 -0.077406 0.119827 -0.046531 -0.003235 -0.082066 -0.018650 -0.012361 0.070743 -0.073935 0.029388 -0.127411 0.043708 -0.191376 -0.245037 0.085036 0.501318 0.208948 -0.266619 -0.142437 -0.054759 -0.119115 0.025721 -0.083392 0.071319 0.025698 0.007248 0.025490 -0.005834 -0.000211 -0.001083 0.021153 0.016903 -0.001760 0.000670 -0.001011 0.004410 0.001516 -0.007352 -0.001697 -0.057770 -0.085500 -0.071082 -0.017158 -0.006175 0.009297 0.020387 -0.015015 0.010930 -0.004635 0.008252 0.002260 -0.049248 0.337317 0.026786 0.212831 -0.393330 0.337723 0.045994 0.383078 -0.097490 -0.015668 -0.018520 0.005395 0.026708 0.010803 -0.014977 -0.017052 -0.010913 -0.005447 -0.332026 0.416576 -0.324909 -0.000141 -0.000645 -0.000055 -0.000275 0.003123 0.001050 -0.029913 0.036393 -0.031900 0.000088 0.000502 -0.001771 0.000805 -0.003344 0.000424 0.000740 -0.000158 -0.000434 0.069250 -0.085267 0.069946 -0.002529 -0.006633 0.004456 0.001031 -0.000484 0.000698 0.001082 -0.001563 0.002652 -0.001046 -0.000383 0.001601 -0.001550 0.001223 -0.001294 -0.575766 -0.095286 0.107584 -0.282844 0.100807 -0.162872 0.514758 0.403664 -0.287656 -0.011975 0.001969 0.004590 -0.000172 0.000445 0.000054 0.002405 0.020586 -0.002389 -0.026707 -0.077737 -0.065279 0.002727 -0.000671 0.022227 0.003667 -0.007921 0.004145 0.001965 0.000270 0.001223 0.012194 0.092133 0.100456 0.015575 -0.010938 0.011081 0.010683 -0.014045 0.000974 0.001451 0.001665 -0.003531 -0.008452 0.008584 -0.006348 -0.006631 0.000823 -0.001254 -0.315682 -0.445006 -0.028094 0.571562 0.339435 -0.260105 -0.190891 -0.264680 -0.230931 0.014865 -0.009036 0.004038 0.002628 -0.006169 0.003286 -0.017372 -0.000306 -0.075551 0.008139 0.015975 0.013724 0.012107 -0.003963 0.124812 0.008099 -0.008111 0.010990 0.047524 -0.077508 0.059502 -0.009992 -0.010461 0.001629 0.007986 -0.005888 0.004779 0.019914 -0.078408 0.002140 -0.011817 0.429280 -0.368479 -0.298307 0.281047 -0.363636 -0.327682 0.446750 -0.114193 0.056444 0.059064 0.015005 0.046962 0.023289 -0.043813 0.041002 0.051941 -0.007585 0.034612 -0.031187 0.012833 -0.005919 0.006630 -0.000958 -0.025725 0.008084 -0.157458 0.006548 0.018353 0.025227 0.025220 -0.011241 0.255684 0.011497 -0.016025 0.025331 -0.034465 0.076910 -0.044587 -0.019388 -0.020392 0.003382 0.017902 -0.014360 0.019528 0.050621 -0.172591 -0.000137 0.008526 -0.462791 0.229652 0.321013 -0.266241 0.331446 0.208935 -0.420831 0.089136 0.127366 0.129204 0.031721 0.113013 0.058219 -0.103364 0.090664 0.113600 -0.023274 0.018443 0.012845 -0.025477 -0.000158 0.002403 0.004343 0.001067 0.000117 0.006616 0.002147 0.000765 -0.001600 -0.001630 0.000525 -0.010020 -0.000733 0.000348 -0.001327 -0.010332 0.024071 0.048624 0.004676 0.005111 -0.001566 -0.001711 0.000655 -0.001529 -0.002590 0.010152 -0.000159 -0.061121 -0.480814 -0.493197 0.545720 -0.150938 -0.144263 -0.328920 0.233133 -0.078441 -0.036682 -0.040646 -0.011062 -0.035424 -0.022310 0.036220 -0.020559 -0.025476 0.007385 -0.017071 0.023168 -0.014250 0.004955 0.002214 0.000317 0.000216 -0.001916 0.003490 0.002041 0.001795 -0.000837 -0.000445 0.001175 -0.004421 -0.000032 0.000587 -0.001031 0.050764 0.026357 -0.005567 0.004782 0.001924 -0.002624 -0.000776 0.001858 -0.002772 -0.002129 0.006940 0.000054 -0.002758 0.163613 -0.352094 -0.218040 -0.109104 0.521525 -0.533213 -0.460378 -0.108697 -0.045315 -0.005292 -0.000581 -0.016718 -0.009374 0.013962 -0.021311 -0.022079 0.031982 -0.010705 0.029994 -0.025331 -0.000957 -0.000096 -0.000139 -0.006702 -0.010451 -0.027345 0.037100 0.037403 0.004329 0.003248 -0.000778 0.034568 0.000191 0.002642 0.003400 -0.002474 -0.001871 -0.003866 0.068075 0.046492 -0.026997 -0.001073 0.007115 -0.003823 0.010310 -0.023227 -0.002930 0.005702 0.016869 0.063941 -0.024483 0.016636 -0.019053 0.062604 0.003484 0.015012 -0.564207 -0.290473 -0.073671 -0.391225 -0.194084 0.315107 -0.298983 -0.353849 0.253032 0.012962 -0.008003 0.000229 -0.000016 0.000003 0.000034 -0.000768 -0.001461 -0.006292 0.001389 0.014594 0.009085 -0.000055 -0.000328 0.007504 0.000370 -0.000748 0.001201 0.001612 0.000253 -0.001365 -0.019251 0.042675 0.031472 -0.002244 0.002943 -0.004930 -0.001266 -0.002926 0.002081 0.001434 0.013881 0.002325 -0.017691 -0.000312 0.018457 -0.006186 -0.019219 -0.000701 0.410911 -0.528763 -0.162347 -0.273745 -0.152189 0.278843 0.096220 0.003181 -0.578950 0.000553 0.000622 -0.001280 -0.000081 -0.000149 0.000063 0.000044 0.003080 0.000126 -0.010943 -0.002471 -0.009129 -0.000098 -0.000617 0.000230 0.000683 -0.000180 0.000257 0.000136 -0.000446 -0.000485 -0.036916 0.014557 -0.039994 0.003183 -0.005051 0.007623 -0.000494 -0.010455 -0.000044 0.000665 0.003475 0.004747 -0.004176 0.001370 0.000581 0.003521 -0.000356 0.000554 -0.129267 -0.319146 -0.110717 0.494439 -0.325726 0.396964 0.239544 0.448834 0.313889 -0.002161 0.000524 0.000540 -0.000314 0.000092 0.000026 0.003530 -0.008461 0.009589 0.000981 0.001890 0.000993 -0.001071 0.000345 -0.012186 -0.040624 0.084441 -0.037482 0.000107 -0.000016 0.000447 0.000349 0.000516 0.000838 0.309809 -0.300055 0.561497 0.162229 -0.660923 -0.157518 -0.000701 0.001901 -0.004686 -0.000768 0.000577 -0.000220 -0.004909 0.001510 -0.001163 0.004623 0.000586 0.000209 -0.005774 0.003900 -0.003425 -0.001324 -0.004064 -0.008815 -0.001176 -0.001179 0.001835 0.011587 0.024182 0.016328 0.000588 0.000165 0.000149 -0.000339 -0.000300 -0.000136 -0.000287 -0.000030 0.000173 -0.000151 -0.000105 -0.000066 -0.000758 -0.000600 -0.000552 0.000047 0.000004 -0.000069 -0.000374 0.000993 0.000539 -0.000852 0.000350 -0.000729 0.001286 -0.000496 -0.000749 0.004068 0.008772 0.005572 -0.001284 -0.002280 0.001865 0.000170 0.000241 -0.000249 -0.000249 -0.000070 0.000058 0.000345 -0.000122 0.000026 -0.369230 -0.767799 -0.522519 0.000073 0.000171 0.000023 -0.000116 -0.000020 0.000127 0.000198 0.000113 0.000003 0.000060 -0.000035 -0.000205 0.000045 -0.000038 -0.000034 -0.016134 0.033328 -0.021849 0.003317 0.000952 -0.001460 0.000280 -0.000407 -0.000188 0.000121 0.000118 0.000201 0.569892 0.011020 -0.064589 -0.221480 -0.478934 -0.225166 -0.158172 0.071182 0.549743 0.003769 -0.014453 0.051272 -0.000673 -0.031845 -0.023786 -0.043925 0.033988 -0.009658 -0.000538 -0.004651 -0.001072 0.000010 -0.000008 -0.000011 0.000074 0.000406 0.000381 -0.000731 -0.001034 -0.000314 0.000043 -0.000076 -0.000202 0.000011 -0.000164 -0.000129 -0.001432 0.002868 -0.001952 -0.038653 -0.011099 0.017027 -0.000244 -0.001099 -0.000049 0.000125 0.000103 0.000869 0.050072 0.001025 -0.005766 -0.019193 -0.041664 -0.019523 -0.013976 0.006322 0.048508 -0.042606 0.165634 -0.585470 0.009537 0.362158 0.269988 0.502536 -0.386769 0.110265 -0.000430 0.000044 0.000186 -0.000019 -0.000017 0.000018 0.000010 -0.000061 0.000001 -0.000309 0.000498 -0.000466 0.000032 0.000034 -0.000031 -0.000026 0.000130 0.000099 0.000018 -0.000234 -0.000322 0.049409 -0.056078 0.061283 0.000224 0.000170 -0.000330 0.000079 0.000315 -0.000403 -0.000312 0.000037 -0.000011 0.000769 0.002182 0.001054 -0.000914 0.000301 0.002697 -0.043091 0.175943 -0.670080 0.011320 0.054114 0.059341 -0.551864 0.430082 -0.112780 -0.000141 -0.000003 0.000017 -0.000031 0.000281 0.000089 0.000025 0.000127 -0.000131 -0.000013 -0.000085 0.000023 -0.000017 -0.000043 0.000087 -0.000072 0.000041 0.000051 0.074889 0.052794 0.025042 0.000013 0.000043 0.000294 -0.000426 0.000571 0.000304 -0.000140 0.000010 -0.000313 -0.649204 -0.000184 0.079974 -0.276969 -0.625805 -0.293654 0.036625 -0.003034 -0.083846 -0.000255 0.000691 -0.002526 0.000008 -0.001597 -0.001092 -0.000274 0.000361 -0.000003 -0.000160 -0.011998 -0.001984 0.000054 -0.000247 0.000110 -0.000032 0.000100 0.000029 -0.000026 -0.000037 -0.000038 0.000072 -0.000073 -0.000149 -0.000059 0.000010 -0.000032 0.047357 -0.029762 -0.078782 -0.000075 -0.000086 -0.000508 -0.000102 0.000133 0.000153 -0.000358 0.000229 -0.000303 -0.480950 -0.011837 0.045922 0.133790 0.272811 0.119833 -0.217049 0.094222 0.770953 0.000254 -0.001045 0.004005 -0.000020 0.002777 0.001982 0.000758 -0.000643 0.000103 -0.000339 0.005418 0.001178 -0.000006 -0.000001 0.000004 -0.000253 -0.000205 0.000009 0.000307 -0.000249 -0.000458 0.000073 -0.000006 -0.000049 0.000046 -0.000069 -0.000036 0.000016 -0.000261 -0.000399 -0.012670 0.064356 0.069922 -0.000104 -0.000047 0.000296 -0.000219 0.000024 -0.000367 -0.000506 -0.000063 -0.000007 0.001409 0.002878 0.001293 -0.001047 0.000441 0.003433 -0.031048 0.106976 -0.348229 -0.019347 -0.710501 -0.533291 0.202857 -0.152262 0.056496 0.000081 0.000143 0.000118 -0.000043 0.000049 -0.000056 -0.000079 0.000286 -0.000230 0.000098 0.000585 0.000081 -0.000213 0.000271 -0.000344 0.022211 -0.047118 0.016321 -0.000226 -0.000073 0.000081 -0.000301 -0.000167 0.000038 -0.053940 0.597861 0.417975 -0.245405 0.033436 -0.632947 0.000676 0.000792 -0.000543 0.000053 -0.000046 -0.000118 0.000219 -0.000009 0.000250 0.000321 0.000105 -0.000394 0.000113 0.000723 0.000288 0.000493 -0.000404 -0.000247 0.000731 0.001247 0.000559 0.000013 -0.000009 0.000014 -0.000023 0.000195 0.000114 -0.000005 -0.000184 0.000013 -0.000068 0.000163 -0.000174 0.015322 0.036499 0.075981 0.000032 0.000023 0.000016 -0.000039 -0.000013 -0.000033 0.055377 -0.558761 -0.377829 -0.267355 0.046685 -0.678944 -0.000044 -0.000097 0.000070 -0.000086 -0.000008 -0.000069 0.000085 -0.000099 -0.000136 0.000183 -0.000114 0.000182 -0.000072 0.000177 0.000036 0.000370 -0.000256 -0.000186 0.000157 -0.000214 -0.000159 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 52.36 68.09 80.28 132.20 160.80 177.73 226.28 237.83 318.98 338.08 411.61 435.47 468.76 540.57 686.96 722.55 788.76 829.53 931.96 1000.54 1007.37 1091.62 1105.78 1180.21 1203.82 1367.67 1387.48 1465.00 1474.08 1491.91 1499.86 1502.52 1578.11 2711.94 3091.74 3093.23 3191.97 3202.00 3211.63 3220.26 3613.05 3726.02 0.004559 0.005052 0.000119 0.001701 0.003047 0.000929 0.002123 0.003108 0.000322 0.001234 0.020997 0.005696 0.000669 0.023590 0.000503 0.000545 0.000307 0.000010 0.001328 0.009680 0.000937 0.022367 0.000050 0.000070 0.002380 0.002554 0.004669 0.000535 0.000602 0.000083 0.000750 0.000564 0.004103 0.000634 0.000051 0.000215 0.000038 0.000112 0.000188 0.000005 0.002834 0.002026 0.018999 -0.061857 0.019282 -0.027318 -0.026613 -0.059976 0.000810 -0.010506 -0.002842 0.038162 0.002917 0.015383 -0.024533 0.035332 0.034596 0.020424 0.018638 0.012816 -0.034587 -0.029429 0.007804 -0.051935 -0.019817 -0.004303 -0.013202 -0.011920 -0.002410 0.016579 0.026344 -0.016281 0.120978 0.058774 -0.053913 0.052409 -0.053412 0.009807 0.005819 0.021987 -0.012317 -0.148307 0.016880 0.036189 0.001963 0.018969 -0.011825 -0.023176 -0.001449 -0.002330 -0.005856 -0.000059 -0.016529 -0.000914 0.000555 -0.002965 -0.026022 -0.005452 -0.024912 -0.092991 0.029324 0.013151 0.025607 -0.016425 0.003400 -0.093927 -0.116374 -0.001153 -0.000837 -0.000309 0.007023 0.000417 -0.005868 0.005916 0.029823 0.038295 0.004956 -0.012450 -0.009108 -0.048125 -0.019447 -0.007775 -0.065038 0.006047 -0.015253 -0.016309 -0.023591 -0.006469 0.001923 -0.004569 -0.006391 -0.004572 -0.002968 -0.022830 -0.014843 0.011140 -0.008252 0.019295 0.024044 -0.053268 0.026210 -0.015735 -0.017485 -0.008992 0.004638 -0.003551 0.004052 -0.013300 -0.005987 0.001432 0.003626 -0.004148 0.002743 -0.009054 -0.005003 -0.002266 -0.008526 0.004486 0.009744 0.000109 0.002088 0.000873 -0.024942 0.045342 -0.012492 -0.007180 -0.020277 -0.039543 133.06566099999998 AuxInfo=1/0/N:7,6,5,4,3,2,1/CRV:4.1,6.4,7.3/rA:16S3P4OO1NCCHHHHHHHHH/rB:s1;s2;s2;s2;s1;s3;s5;s5;s6;s6;s6;s7;s7;s7;s1;/rC:;;;;;;;;;;;;;;;; -1026.26098227 529.44781523 -1555.70879750 -2452.15706293 896.44826543 -2049.96924650 1023.70826423 2.00249360 37.000000583595 37.000000583595 74.000001167190 -62.660836143797 0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2427.4658 -2107.4038 -529.2275 -527.1421 -397.7439 -285.5009 -285.4648 -225.9708 -188.7466 -170.2373 -170.2066 -170.0953 -138.5160 -138.4667 -138.4014 -37.2552 -34.6991 -32.4128 -30.8882 -27.3370 -26.3853 -23.6617 -22.2152 -21.6267 -21.1545 -20.4900 -19.9319 -19.5968 -18.9459 -18.6456 -18.2562 -17.3755 -16.9216 -16.3387 -15.7366 -15.6197 -15.4393 -2.9690 -2.8092 -1.9583 -1.1214 -0.6201 -0.2098 0.2091 0.3761 0.5956 0.8592 1.4595 1.4810 1.8629 2.0782 2.5525 2.9195 3.0594 3.4517 4.0474 4.2027 4.5541 4.8619 5.3550 5.5411 5.8399 6.2479 6.3841 6.8442 7.0855 7.4144 7.8070 7.8891 8.6358 9.0011 9.1829 9.5399 10.0552 10.1743 10.4219 10.6096 10.7862 10.9675 11.2047 11.2933 11.7017 11.9613 12.3809 12.7976 13.2178 13.3470 14.3053 14.8665 15.3603 15.8022 16.3154 16.6690 17.1258 17.4458 18.1257 18.2633 19.1855 19.3954 19.9046 20.3162 21.1692 21.4383 21.9870 22.3029 22.5405 22.9743 23.2733 23.4274 23.9362 24.1330 24.5760 24.7489 25.3975 25.6905 26.1454 26.3937 26.9073 27.2437 27.9786 28.4844 28.8865 29.3959 30.0157 30.6146 31.1654 31.7066 31.8159 32.1968 32.7325 33.6947 34.0258 34.2858 34.9891 35.4402 35.4965 35.8978 36.3879 36.7590 36.9649 37.1335 37.3314 37.3676 37.7772 38.5385 38.8947 39.2459 39.5365 39.7829 40.0569 40.4541 40.9763 41.3243 41.9333 42.1863 42.9259 43.2297 43.8067 43.9908 44.8590 45.2836 45.6056 46.8903 47.4378 48.0113 48.6753 49.0821 49.3669 49.6856 50.4472 51.7861 52.2396 53.2821 53.9024 54.9414 56.3100 56.7806 57.1095 57.8702 59.1765 60.0518 60.3308 60.7787 61.0460 61.8703 62.3176 63.2645 63.8439 65.9317 66.5249 66.9272 67.1968 67.8490 68.4067 68.6915 70.0101 71.0230 71.6566 73.3235 73.9347 74.4907 74.5336 75.4082 76.2454 76.7153 77.3026 77.7087 77.8459 78.4425 78.6036 78.8128 79.0451 79.9620 80.2136 80.7189 81.1723 81.5487 82.1031 83.0345 83.8960 83.9721 84.5666 85.0556 85.6861 87.0517 87.3976 87.8686 88.1274 88.3381 89.0642 89.2872 90.3627 91.7245 92.3895 92.6091 92.9367 93.7458 94.1786 94.8442 95.2765 95.5567 96.3453 96.7466 96.9456 97.1171 97.9686 98.3614 99.4006 99.7965 101.8763 102.2112 102.5871 102.9950 103.4203 103.5134 104.0164 105.0130 105.7267 106.2280 106.5099 106.7652 107.1365 107.4762 107.5598 108.1354 108.1868 108.6715 109.1152 109.2570 110.3401 110.5436 111.7603 111.9464 112.0339 112.2375 113.5697 113.8361 116.8390 119.1981 119.5078 119.9615 121.5292 121.6814 121.8189 122.0439 122.5399 122.7825 124.9923 125.4446 127.8165 129.0905 129.7345 132.1637 132.7174 134.9258 135.1203 135.5402 136.0379 137.4213 138.3824 139.1217 139.2550 139.7509 140.2903 140.4111 140.6452 141.5450 141.8655 142.0145 142.2020 142.4974 142.9244 143.6105 144.2931 145.8839 147.3420 148.6581 148.9880 149.0696 149.4244 149.6886 150.3702 150.5599 151.9618 152.2181 154.4925 155.6751 157.6536 160.8501 162.0524 163.6905 165.2699 166.7188 171.1878 171.5754 172.0631 173.3629 176.1421 176.7663 179.3334 181.6945 182.5464 182.9694 183.4455 184.0088 186.7900 187.5333 187.8441 189.4570 193.7531 194.7592 198.1190 207.2763 224.7147 234.2249 246.7613 251.6558 253.4740 471.2441 549.5107 635.9400 637.0677 884.5598 1189.2015 1196.2746 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 0.182881 0.726976 -0.316635 -0.426130 -0.315211 -0.216450 -0.112199 0.215064 0.200319 0.157161 0.150877 0.161642 0.146424 0.141631 0.132200 0.171447 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 0.872955 0.150290 0.094525 -0.180603 0.187278 -0.118988 0.005872 -0.018310 -0.024952 0.019065 0.019399 0.015531 0.016857 0.022223 0.013684 -0.074825 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S P O O N C C H H H H H H H H H 15.8171 14.2730 8.3166 8.4261 7.3152 6.2164 6.1122 0.7849 0.7997 0.8428 0.8491 0.8384 0.8536 0.8584 0.8678 0.8286 16.0000 15.0000 8.0000 8.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1829 0.7270 -0.3166 -0.4261 -0.3152 -0.2164 -0.1122 0.2151 0.2003 0.1572 0.1509 0.1616 0.1464 0.1416 0.1322 0.1714 2.8909 5.5581 2.1482 2.2105 3.2257 3.8378 3.7913 0.9971 1.0070 1.0000 1.0009 1.0089 0.9883 0.9861 0.9906 0.9946 2.8909 5.5581 2.1482 2.2105 3.2257 3.8378 3.7913 0.9971 1.0070 1.0000 1.0009 1.0089 0.9883 0.9861 0.9906 0.9946 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7889 0.9559 0.9690 1.2641 2.1027 1.2673 0.8273 0.9424 0.9498 0.9551 0.9518 0.9599 0.9715 0.9702 0.9772 0 1 0 5 0 15 1 2 1 3 1 4 2 6 4 7 4 8 5 9 5 10 5 11 6 12 6 13 6 14 -0.004815387 -1026.265812841601 -0.46638 1.01087 0.54449 -3.78671 4.02372 0.23701 -0.16876 -0.87212 -1.04088 1.19837 3.04600 298.15 1.00 142.13 -1026.26581284 0.12535986 0.00773679 0.00141627 0.00141627 -1026.12988365 0.01056934 0.12535986 0.13592920 -1026.12988365 0.00094421 -1026.12893944 -1026.12893944 -0.04679991 -1026.17573934 0.09007350