ClClOO 35-35 Thu Apr 03 10:53:49 2008 ID=102002 QSPINROT= 90406.8958 MIN, MAX QN= 0 200 MIN.LOG.STR= -7.000 MIN.LOG.STR(FRQ/300GHZ)**2= -5.300 MAX FREQ 1500.0 GHZ, TEMP= 300.00 1 001 .457 2 003 1.502 .VAR FILE TITLE :ClClO2, 4 isotopomers Fri OcWed Nov 29 18:04:04 2000 PARAMETERS - A.PRIORI ERROR 1 1 10000 9.4509294811125E+003 6.114174E-004 2 1 -10044 9.4509294811125E+003 1.000000 3 2 20000 3.5880577731842E+003 2.756378E-004 4 2 -20044 3.5880577731842E+003 1.000000 5 3 30000 2.7879376806219E+003 2.893937E-004 6 3 -30044 2.7879376806219E+003 1.000000 7 4 200 -1.7587774144548E-003 1.457759E-007 8 4 -244 -1.7587774144459E-003 1.000000 9 4 -233 1.7587774144459E-003 -1.000000 10 4 -277 1.7587774144459E-003 -1.000000 11 5 1100 -6.5025840034990E-003 4.997433E-007 12 5 -1144 -6.5025840032497E-003 1.000000 13 5 -1133 6.5025840032497E-003 -1.000000 14 5 -1177 6.5025840032497E-003 -1.000000 15 6 2000 1.2075515126177E-003 1.390850E-006 16 6 -2044 1.2075515097737E-003 1.000000 17 6 -2033 -1.2075515097737E-003 -1.000000 18 6 -2077 -1.2075515097737E-003 -1.000000 19 7 40100 -3.8497591288331E-004 8.265788E-008 20 7 -40144 -3.8497591262147E-004 1.000000 21 7 -40133 3.8497591262147E-004 -1.000000 22 7 -40177 3.8497591262147E-004 -1.000000 23 8 41000 -6.1346007946240E-003 8.019094E-007 24 8 -41044 -6.1346007941028E-003 1.000000 25 8 -41033 6.1346007941028E-003 -1.000000 26 8 -41077 6.1346007941028E-003 -1.000000 27 9 300 -1.2147186669153E-010 2.028861E-011 28 9 -344 -1.2146891761358E-010 0.999976 29 9 -333 1.2146891761358E-010 -0.999976 30 9 -377 1.2146891761358E-010 -0.999976 31 10 1200 9.1735532009046E-009 4.873926E-010 32 10 -1244 9.1735520051193E-009 1.000000 33 10 -1233 -9.1735520051193E-009 -1.000000 34 10 -1277 -9.1735520051193E-009 -1.000000 35 11 2100 2.7662868241064E-008 1.715842E-009 36 11 -2144 2.7662845176216E-008 0.999999 37 11 -2133 -2.7662845176216E-008 -0.999999 38 11 -2177 -2.7662845176216E-008 -0.999999 39 12 3000 -2.5868751109318E-008 1.346860E-009 40 12 -3044 -2.5868711900735E-008 0.999998 41 12 -3033 2.5868711900735E-008 -0.999998 42 12 -3077 2.5868711900735E-008 -0.999998 43 13 40200 1.0872812369546E-010 1.156948E-011 44 13 -40244 1.0871267691984E-010 0.999858 45 13 -40233 -1.0871267691984E-010 -0.999858 46 13 -40277 -1.0871267691984E-010 -0.999858 47 14 41100 3.6650388801132E-009 2.416208E-010 48 14 -41144 3.6650379735266E-009 1.000000 49 14 -41133 -3.6650379735266E-009 -1.000000 50 14 -41177 -3.6650379735266E-009 -1.000000 51 15 42000 1.5999956692209E-007 5.178728E-009 52 15 -42044 1.5999954605202E-007 1.000000 53 15 -42033 -1.5999954605202E-007 -1.000000 54 15 -42077 -1.5999954605202E-007 -1.000000 55 16 10011 9.4498118276865E+003 6.145269E-003 56 16 -10055 9.4498118276865E+003 1.000000 57 17 20011 3.4695928485923E+003 1.063479E-003 58 17 -20055 3.4695928485923E+003 1.000000 59 18 30011 2.7159595923581E+003 7.431201E-004 60 18 -30055 2.7159595923581E+003 1.000000 61 19 211 -1.6618590799173E-003 4.434344E-007 62 19 -255 -1.6618590796147E-003 1.000000 63 19 -233 -1.6618590796147E-003 1.000000 64 19 -277 -1.6618590796147E-003 1.000000 65 20 1111 -6.2260022550440E-003 3.559941E-006 66 20 -1155 -6.2260022506611E-003 1.000000 67 20 -1133 -6.2260022506611E-003 1.000000 68 20 -1177 -6.2260022506611E-003 1.000000 69 21 2011 8.5469732151847E-004 8.123899E-006 70 21 -2055 8.5469730354568E-004 1.000000 71 21 -2033 8.5469730354568E-004 1.000000 72 21 -2077 8.5469730354568E-004 1.000000 73 22 40111 -3.5496938827209E-004 3.177082E-007 74 22 -40155 -3.5496938754380E-004 1.000000 75 22 -40133 -3.5496938754380E-004 1.000000 76 22 -40177 -3.5496938754380E-004 1.000000 77 23 41011 -5.8874169771510E-003 2.273256E-006 78 23 -41055 -5.8874169744982E-003 1.000000 79 23 -41033 -5.8874169744982E-003 1.000000 80 23 -41077 -5.8874169744982E-003 1.000000 81 24 311 -1.6788702998928E-010 6.921790E-011 82 24 -355 -1.6785055877854E-010 0.999783 83 24 -333 -1.6785055877854E-010 0.999783 84 24 -377 -1.6785055877854E-010 0.999783 85 25 1211 9.8254216143902E-009 1.315562E-009 86 25 -1255 9.8253893492225E-009 0.999997 87 25 -1233 9.8253893492225E-009 0.999997 88 25 -1277 9.8253893492225E-009 0.999997 89 26 2111 2.1756202552827E-008 4.656900E-009 90 26 -2155 2.1756189084906E-008 0.999999 91 26 -2133 2.1756189084906E-008 0.999999 92 26 -2177 2.1756189084906E-008 0.999999 93 27 3011 -2.6796731295207E-008 5.530077E-009 94 27 -3055 -2.6796537155560E-008 0.999993 95 27 -3033 -2.6796537155560E-008 0.999993 96 27 -3077 -2.6796537155560E-008 0.999993 97 28 40211 8.0145196358362E-011 4.906002E-011 98 28 -40255 8.0093643782787E-011 0.999357 99 28 -40233 8.0093643782787E-011 0.999357 100 28 -40277 8.0093643782787E-011 0.999357 101 29 41111 3.6880427909710E-009 5.553144E-010 102 29 -41155 3.6880406635759E-009 0.999999 103 29 -41133 3.6880406635759E-009 0.999999 104 29 -41177 3.6880406635759E-009 0.999999 105 30 42011 1.7238282628125E-007 1.490175E-008 106 30 -42055 1.7238281851356E-007 1.000000 107 30 -42033 1.7238281851356E-007 1.000000 108 30 -42077 1.7238281851356E-007 1.000000 109 31 10022 9.4146797014823E+003 4.983490E-003 110 31 -10066 9.4146797014823E+003 1.000000 111 32 20022 3.5650850856294E+003 9.846617E-004 112 32 -20066 3.5650850856294E+003 1.000000 113 33 30022 2.7772651808121E+003 4.191507E-004 114 33 -30066 2.7772651808121E+003 1.000000 115 34 222 -1.7336890002222E-003 3.267682E-007 116 34 -266 -1.7336889997057E-003 1.000000 117 34 -233 -1.7336889997057E-003 1.000000 118 34 -277 -1.7336889997057E-003 1.000000 119 35 1122 -6.4526134332182E-003 2.655510E-006 120 35 -1166 -6.4526134137607E-003 1.000000 121 35 -1133 -6.4526134137607E-003 1.000000 122 35 -1177 -6.4526134137607E-003 1.000000 123 36 2022 1.2258519349711E-003 6.617610E-006 124 36 -2066 1.2258518102157E-003 1.000000 125 36 -2033 1.2258518102157E-003 1.000000 126 36 -2077 1.2258518102157E-003 1.000000 127 37 40122 -3.7560574355839E-004 1.948653E-007 128 37 -40166 -3.7560574244195E-004 1.000000 129 37 -40133 -3.7560574244195E-004 1.000000 130 37 -40177 -3.7560574244195E-004 1.000000 131 38 41022 -6.0359347907440E-003 2.104415E-006 132 38 -41066 -6.0359347880221E-003 1.000000 133 38 -41033 -6.0359347880221E-003 1.000000 134 38 -41077 -6.0359347880221E-003 1.000000 135 39 322 -1.3510652302514E-010 4.888608E-011 136 39 -366 -1.3493567440620E-010 0.998735 137 39 -333 -1.3493567440620E-010 0.998735 138 39 -377 -1.3493567440620E-010 0.998735 139 40 1222 1.1115095726061E-008 1.027398E-009 140 40 -1266 1.1115006302531E-008 0.999992 141 40 -1233 1.1115006302531E-008 0.999992 142 40 -1277 1.1115006302531E-008 0.999992 143 41 2122 2.3437354014878E-008 3.781192E-009 144 41 -2166 2.3436863316292E-008 0.999979 145 41 -2133 2.3436863316292E-008 0.999979 146 41 -2177 2.3436863316292E-008 0.999979 147 42 3022 -1.8301876142163E-008 4.836835E-009 148 42 -3066 -1.8300404052640E-008 0.999920 149 42 -3033 -1.8300404052640E-008 0.999920 150 42 -3077 -1.8300404052640E-008 0.999920 151 43 40222 1.1169304042438E-010 2.905737E-011 152 43 -40266 1.1160937979974E-010 0.999251 153 43 -40233 1.1160937979974E-010 0.999251 154 43 -40277 1.1160937979974E-010 0.999251 155 44 41122 3.3970875054053E-009 4.506120E-010 156 44 -41166 3.3970857343322E-009 0.999999 157 44 -41133 3.3970857343322E-009 0.999999 158 44 -41177 3.3970857343322E-009 0.999999 159 45 42022 1.7084615233001E-007 1.108919E-008 160 45 -42066 1.7084612119033E-007 1.000000 161 45 -42033 1.7084612119033E-007 1.000000 162 45 -42077 1.7084612119033E-007 1.000000 163 46 10033 9.4135100433477E+003 7.413234E-003 164 46 -10077 9.4135100433477E+003 1.000000 165 47 20033 3.4463654401752E+003 1.354109E-003 166 47 -20077 3.4463654401752E+003 1.000000 167 48 30033 2.7047630667007E+003 1.031827E-003 168 48 -30077 2.7047630667007E+003 1.000000 169 49 110010000 -1.0013657166363E+002 2.430639E-001 170 49 -110010022 -1.0013657166139E+002 1.000000 171 49 -110010011 -7.8917458512612E+001 0.788098 172 49 -110010033 -7.8917458512612E+001 0.788098 173 50 110040000 2.1397527062121E+000 3.757621E-002 174 50 -110040022 2.1397526948620E+000 1.000000 175 50 -110040011 1.6863353879870E+000 0.788098 176 50 -110040033 1.6863353879870E+000 0.788098 177 51 220010000 -2.8972411663328E+001 2.610670E-001 178 51 -220010011 -2.8972410427014E+001 1.000000 179 51 -220010022 -2.2833106422792E+001 0.788098 180 51 -220010033 -2.2833106422792E+001 0.788098 181 52 220040000 -1.7991485011768E+001 4.560962E-002 182 52 -220040033 1.4179057616466E+001 -0.788098 183 53 220040011 -1.7991370175770E+001 5.134175E-002 184 53 -220040033 -1.4178964246524E+001 0.788098 185 54 220040022 -1.4198499322127E+001 6.308680E-002 186 54 -220040033 -1.4198498775273E+001 1.000000 186 parameters read, 54 independent parameters IQNFMT = 303 WARNING: parameter 186 -220040033 has no matrix elements WARNING: parameter 185 220040022 has no matrix elements WARNING: parameter 184 -220040033 has no matrix elements WARNING: parameter 183 220040011 has no matrix elements WARNING: parameter 182 -220040033 has no matrix elements WARNING: parameter 181 220040000 has no matrix elements WARNING: parameter 180 -220010033 has no matrix elements WARNING: parameter 179 -220010022 has no matrix elements WARNING: parameter 178 -220010011 has no matrix elements WARNING: parameter 177 220010000 has no matrix elements WARNING: parameter 176 -110040033 has no matrix elements WARNING: parameter 175 -110040011 has no matrix elements WARNING: parameter 174 -110040022 has no matrix elements WARNING: parameter 173 110040000 has no matrix elements WARNING: parameter 172 -110010033 has no matrix elements WARNING: parameter 171 -110010011 has no matrix elements WARNING: parameter 170 -110010022 has no matrix elements WARNING: parameter 169 110010000 has no matrix elements WARNING: parameter 168 -30077 has no matrix elements WARNING: parameter 167 30033 has no matrix elements WARNING: parameter 166 -20077 has no matrix elements WARNING: parameter 165 20033 has no matrix elements WARNING: parameter 164 -10077 has no matrix elements WARNING: parameter 163 10033 has no matrix elements WARNING: parameter 162 -42077 has no matrix elements WARNING: parameter 161 -42033 has no matrix elements WARNING: parameter 160 -42066 has no matrix elements WARNING: parameter 159 42022 has no matrix elements WARNING: parameter 158 -41177 has no matrix elements WARNING: parameter 157 -41133 has no matrix elements WARNING: parameter 156 -41166 has no matrix elements WARNING: parameter 155 41122 has no matrix elements WARNING: parameter 154 -40277 has no matrix elements WARNING: parameter 153 -40233 has no matrix elements WARNING: parameter 152 -40266 has no matrix elements WARNING: parameter 151 40222 has no matrix elements WARNING: parameter 150 -3077 has no matrix elements WARNING: parameter 149 -3033 has no matrix elements WARNING: parameter 148 -3066 has no matrix elements WARNING: parameter 147 3022 has no matrix elements WARNING: parameter 146 -2177 has no matrix elements WARNING: parameter 145 -2133 has no matrix elements WARNING: parameter 144 -2166 has no matrix elements WARNING: parameter 143 2122 has no matrix elements WARNING: parameter 142 -1277 has no matrix elements WARNING: parameter 141 -1233 has no matrix elements WARNING: parameter 140 -1266 has no matrix elements WARNING: parameter 139 1222 has no matrix elements WARNING: parameter 138 -377 has no matrix elements WARNING: parameter 137 -333 has no matrix elements WARNING: parameter 136 -366 has no matrix elements WARNING: parameter 135 322 has no matrix elements WARNING: parameter 134 -41077 has no matrix elements WARNING: parameter 133 -41033 has no matrix elements WARNING: parameter 132 -41066 has no matrix elements WARNING: parameter 131 41022 has no matrix elements WARNING: parameter 130 -40177 has no matrix elements WARNING: parameter 129 -40133 has no matrix elements WARNING: parameter 128 -40166 has no matrix elements WARNING: parameter 127 40122 has no matrix elements WARNING: parameter 126 -2077 has no matrix elements WARNING: parameter 125 -2033 has no matrix elements WARNING: parameter 124 -2066 has no matrix elements WARNING: parameter 123 2022 has no matrix elements WARNING: parameter 122 -1177 has no matrix elements WARNING: parameter 121 -1133 has no matrix elements WARNING: parameter 120 -1166 has no matrix elements WARNING: parameter 119 1122 has no matrix elements WARNING: parameter 118 -277 has no matrix elements WARNING: parameter 117 -233 has no matrix elements WARNING: parameter 116 -266 has no matrix elements WARNING: parameter 115 222 has no matrix elements WARNING: parameter 114 -30066 has no matrix elements WARNING: parameter 113 30022 has no matrix elements WARNING: parameter 112 -20066 has no matrix elements WARNING: parameter 111 20022 has no matrix elements WARNING: parameter 110 -10066 has no matrix elements WARNING: parameter 109 10022 has no matrix elements WARNING: parameter 108 -42077 has no matrix elements WARNING: parameter 107 -42033 has no matrix elements WARNING: parameter 106 -42055 has no matrix elements WARNING: parameter 105 42011 has no matrix elements WARNING: parameter 104 -41177 has no matrix elements WARNING: parameter 103 -41133 has no matrix elements WARNING: parameter 102 -41155 has no matrix elements WARNING: parameter 101 41111 has no matrix elements WARNING: parameter 100 -40277 has no matrix elements WARNING: parameter 99 -40233 has no matrix elements WARNING: parameter 98 -40255 has no matrix elements WARNING: parameter 97 40211 has no matrix elements WARNING: parameter 96 -3077 has no matrix elements WARNING: parameter 95 -3033 has no matrix elements WARNING: parameter 94 -3055 has no matrix elements WARNING: parameter 93 3011 has no matrix elements WARNING: parameter 92 -2177 has no matrix elements WARNING: parameter 91 -2133 has no matrix elements WARNING: parameter 90 -2155 has no matrix elements WARNING: parameter 89 2111 has no matrix elements WARNING: parameter 88 -1277 has no matrix elements WARNING: parameter 87 -1233 has no matrix elements WARNING: parameter 86 -1255 has no matrix elements WARNING: parameter 85 1211 has no matrix elements WARNING: parameter 84 -377 has no matrix elements WARNING: parameter 83 -333 has no matrix elements WARNING: parameter 82 -355 has no matrix elements WARNING: parameter 81 311 has no matrix elements WARNING: parameter 80 -41077 has no matrix elements WARNING: parameter 79 -41033 has no matrix elements WARNING: parameter 78 -41055 has no matrix elements WARNING: parameter 77 41011 has no matrix elements WARNING: parameter 76 -40177 has no matrix elements WARNING: parameter 75 -40133 has no matrix elements WARNING: parameter 74 -40155 has no matrix elements WARNING: parameter 73 40111 has no matrix elements WARNING: parameter 72 -2077 has no matrix elements WARNING: parameter 71 -2033 has no matrix elements WARNING: parameter 70 -2055 has no matrix elements WARNING: parameter 69 2011 has no matrix elements WARNING: parameter 68 -1177 has no matrix elements WARNING: parameter 67 -1133 has no matrix elements WARNING: parameter 66 -1155 has no matrix elements WARNING: parameter 65 1111 has no matrix elements WARNING: parameter 64 -277 has no matrix elements WARNING: parameter 63 -233 has no matrix elements WARNING: parameter 62 -255 has no matrix elements WARNING: parameter 61 211 has no matrix elements WARNING: parameter 60 -30055 has no matrix elements WARNING: parameter 59 30011 has no matrix elements WARNING: parameter 58 -20055 has no matrix elements WARNING: parameter 57 20011 has no matrix elements WARNING: parameter 56 -10055 has no matrix elements WARNING: parameter 55 10011 has no matrix elements WARNING: parameter 54 -42077 has no matrix elements WARNING: parameter 53 -42033 has no matrix elements WARNING: parameter 52 -42044 has no matrix elements WARNING: parameter 50 -41177 has no matrix elements WARNING: parameter 49 -41133 has no matrix elements WARNING: parameter 48 -41144 has no matrix elements WARNING: parameter 46 -40277 has no matrix elements WARNING: parameter 45 -40233 has no matrix elements WARNING: parameter 44 -40244 has no matrix elements WARNING: parameter 42 -3077 has no matrix elements WARNING: parameter 41 -3033 has no matrix elements WARNING: parameter 40 -3044 has no matrix elements WARNING: parameter 38 -2177 has no matrix elements WARNING: parameter 37 -2133 has no matrix elements WARNING: parameter 36 -2144 has no matrix elements WARNING: parameter 34 -1277 has no matrix elements WARNING: parameter 33 -1233 has no matrix elements WARNING: parameter 32 -1244 has no matrix elements WARNING: parameter 30 -377 has no matrix elements WARNING: parameter 29 -333 has no matrix elements WARNING: parameter 28 -344 has no matrix elements WARNING: parameter 26 -41077 has no matrix elements WARNING: parameter 25 -41033 has no matrix elements WARNING: parameter 24 -41044 has no matrix elements WARNING: parameter 22 -40177 has no matrix elements WARNING: parameter 21 -40133 has no matrix elements WARNING: parameter 20 -40144 has no matrix elements WARNING: parameter 18 -2077 has no matrix elements WARNING: parameter 17 -2033 has no matrix elements WARNING: parameter 16 -2044 has no matrix elements WARNING: parameter 14 -1177 has no matrix elements WARNING: parameter 13 -1133 has no matrix elements WARNING: parameter 12 -1144 has no matrix elements WARNING: parameter 10 -277 has no matrix elements WARNING: parameter 9 -233 has no matrix elements WARNING: parameter 8 -244 has no matrix elements WARNING: parameter 6 -30044 has no matrix elements WARNING: parameter 4 -20044 has no matrix elements WARNING: parameter 2 -10044 has no matrix elements ENERGY SORT OF WANG SUB-BLOCKS PROLATE ROTOR V KMIN KMAX WTPL WTMN ESYMWT NSYM SPINS 0 0 90 1 1 99 2 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 1 x 0 0 2 1 c 0 0 3 1 b 0 0 4 1 a 0 0 Maximum Dimension for Hamiltonian = 46 INITIAL Q = 90406.8958, NEW Q IS RELATIVE TO MIN.EGY.= 0.0000 NUMBER OF LINES = 15078 TEMPERATURE - Q(SPIN-ROT.) - log Q(SPIN-ROT.) 300.000 90406.8955 4.9562 225.000 58674.7304 4.7685 150.000 31914.9352 4.5040 75.000 11277.5653 4.0522 37.500 3987.9217 3.6007 18.750 1411.3198 3.1496 9.375 500.1085 2.6991