GMTKN30 MB08-165
----------------
References
^^^^^^^^^^
| GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30
| L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules
^^^^^^^^^
016
014
145
064
170_c
092
095
162
137
018
172_o
168_be
111
026
119
115
081
075
177_si
078
107
079
031
090
093
089
021
037
067
041
178_p
015
109
106
112
169_b
039
173_f
127
071
006
123
048
023
118
066
122
077
059
055
179_s
042
051
129
165
104
136
144
116
105
007
150
013
028
141
082
060
120
125
103
063
176_al
030
058
027
045
139
038
097
146
114
009
154
032
047
113
084
022
124
024
094
159
117
163
147
100
083
069
110
142
086
061
008
101
174_na
096
152
140
134
072
004
156
102
164
062
166_h
046
050
020
036
011
057
160
054
065
098
019
029
010
035
003
017
088
126
121
151
076
012
002
049
052
053
131
043
085
153
070
034
001
074
108
099
033
073
161
056
167_li
025
148
068
143
149
135
044
155
087
005
132
133
138
158
080
180_cl
040
128
175_mg
130
157
091
171_n

Reactions
^^^^^^^^^
| 1: 2001 -> 2170_c + 172_o + 2166_h, energy = 0.20554430733263998
| 2: 2002 -> 171_n + 172_o + 178_p + 5166_h, energy = 0.016253937887280002
| 3: 2003 + 8166_h -> 4169_b + 2170_c + 2167_li + 171_n, energy = -0.102818846188512
| 4: 2004 -> 2168_be + 179_s + 4166_h, energy = 0.102334072630464
| 5: 2005 -> 2168_be + 180_cl + 171_n + 3166_h, energy = 0.16468436641104
| 6: 2006 + 4166_h -> 2176_al + 2169_b + 2168_be + 171_n, energy = 0.151173016602
| 7: 2007 -> 2177_si + 3166_h, energy = -0.133531529940912
| 8: 008 + 2166_h -> 2170_c + 167_li, energy = -0.140015256759696
| 9: 2009 + 4166_h -> 2176_al + 2169_b + 2168_be + 173_f, energy = 0.1623162746712
| 10: 010 -> 174_na + 172_o + 2166_h, energy = 0.117020384781216
| 11: 2011 -> 2168_be + 5166_h, energy = -0.11143513045430399
| 12: 012 -> 169_b + 2166_h, energy = 0.0100277529972144
| 13: 2013 -> 2168_be + 178_p + 4166_h, energy = -0.0123144435754992
| 14: 2014 -> 4167_li + 172_o + 3166_h, energy = 0.3391821304896
| 15: 2015 -> 2168_be + 172_o + 4166_h, energy = 0.2673824176104
| 16: 016 -> 169_b + 167_li + 166_h, energy = 0.112592563180176
| 17: 2017 -> 2168_be + 180_cl + 179_s + 3166_h, energy = 0.149469616022784
| 18: 018 -> 175_mg + 177_si, energy = -0.0034119166190544003
| 19: 2019 -> 2169_b + 2175_mg + 178_p, energy = 0.127184852845968
| 20: 2020 -> 2169_b + 173_f + 2167_li + 166_h, energy = 0.5021900281857601
| 21: 2021 + 7166_h -> 2168_be + 4170_c + 173_f + 179_s, energy = 0.23168415175295998
| 22: 2022 -> 172_o + 178_p + 6166_h, energy = 0.130713723874704
| 23: 023 -> 169_b + 2167_li, energy = 0.053237124585791995
| 24: 2024 -> 2169_b + 2168_be + 179_s, energy = 0.26552746553424
| 25: 2025 -> 171_n + 179_s + 6166_h, energy = -0.055454302269264
| 26: 026 -> 169_b + 171_n + 166_h, energy = -0.085931929809264
| 27: 027 + 166_h -> 170_c + 177_si, energy = -0.10240084453079999
| 28: 2028 -> 2169_b + 173_f + 172_o + 2166_h, energy = 0.36380964714336
| 29: 2029 + 2166_h -> 2170_c + 173_f + 2175_mg + 172_o, energy = 0.22552966299167998
| 30: 2030 -> 2168_be + 171_n + 4166_h, energy = -0.008348718584016
| 31: 2031 -> 2169_b + 173_f + 3166_h, energy = 0.31769082146976
| 32: 2032 + 7166_h -> 2176_al + 4167_li + 171_n + 172_o + 2177_si, energy = 0.5526052033416
| 33: 2033 -> 2169_b + 180_cl + 173_f + 2166_h, energy = 0.39336139224672
| 34: 2034 -> 2170_c + 173_f + 2167_li, energy = -0.015482921638579202
| 35: 035 + 3166_h -> 169_b + 170_c + 167_li + 175_mg, energy = -0.007836853801488
| 36: 2036 + 166_h -> 2170_c + 2167_li + 2174_na, energy = -0.054867856939344005
| 37: 2037 + 5166_h -> 2170_c + 2175_mg + 2177_si, energy = -0.31770038307840004
| 38: 2038 + 2166_h -> 2168_be + 2170_c + 171_n + 172_o, energy = 0.066381308623056
| 39: 2039 + 3166_h -> 2169_b + 2170_c + 180_cl + 178_p, energy = 0.040673170832832
| 40: 2040 + 3166_h -> 4168_be + 180_cl + 2167_li + 2171_n, energy = 0.23103714956832003
| 41: 2041 -> 2176_al + 2173_f + 178_p + 166_h, energy = 0.43526673571296004
| 42: 2042 -> 2169_b + 173_f + 2167_li + 166_h, energy = 0.5037103239595201
| 43: 2043 + 3166_h -> 2176_al + 2170_c + 180_cl + 179_s, energy = 0.05075461226256
| 44: 044 -> 176_al + 2166_h, energy = 0.0059778061696272
| 45: 045 -> 169_b + 174_na + 166_h, energy = 0.10445435934638399
| 46: 046 + 3166_h -> 169_b + 168_be + 174_na + 177_si, energy = 0.05836326233784
| 47: 2047 -> 2167_li + 178_p + 5166_h, energy = 0.07890860954289601
| 48: 2048 + 2166_h -> 2176_al + 2170_c + 172_o, energy = 0.153505411669584
| 49: 2049 -> 2168_be + 179_s + 4166_h, energy = 0.149006674804464
| 50: 2050 -> 2176_al + 180_cl + 3166_h, energy = 0.09979435001553599
| 51: 2051 -> 173_f + 2167_li + 171_n + 4166_h, energy = 0.140706720424512
| 52: 2052 + 2166_h -> 2169_b + 2170_c + 179_s, energy = -0.020229017319216
| 53: 2053 + 2166_h -> 2169_b + 2170_c + 172_o, energy = 0.076465937255664
| 54: 2054 -> 4168_be + 171_n + 166_h, energy = 0.027008675925408
| 55: 2055 -> 180_cl + 173_f + 2175_mg + 179_s + 2166_h, energy = 0.69108757487616
| 56: 2056 -> 173_f + 2167_li + 5166_h, energy = 0.39594143297808
| 57: 057 -> 169_b + 174_na + 166_h, energy = 0.104057074507392
| 58: 058 -> 167_li + 171_n + 2166_h, energy = 0.021069482718672
| 59: 2059 -> 180_cl + 7166_h, energy = 0.079385574453888
| 60: 2060 -> 2169_b + 173_f + 171_n + 2166_h, energy = 0.44959002545568005
| 61: 2061 -> 2168_be + 179_s + 4166_h, energy = 0.154483564233456
| 62: 062 -> 174_na + 3166_h, energy = 0.003520504621176
| 63: 2063 + 166_h -> 2176_al + 173_f + 2175_mg + 179_s, energy = 0.52763984318256
| 64: 2064 + 3166_h -> 2170_c + 171_n + 2177_si, energy = -0.072281617954656
| 65: 2065 -> 2175_mg + 172_o + 4166_h, energy = 0.29538677571552
| 66: 2066 -> 2176_al + 171_n + 3166_h, energy = 0.0125515874057856
| 67: 2067 + 166_h -> 2176_al + 2169_b + 171_n, energy = 0.21309001015104
| 68: 2068 -> 2169_b + 171_n + 3166_h, energy = 0.16533455579856
| 69: 2069 -> 173_f + 171_n + 6166_h, energy = 0.32070910259712
| 70: 2070 + 166_h -> 2168_be + 2170_c + 173_f, energy = 0.099749569815072
| 71: 2071 + 2166_h -> 2176_al + 2170_c + 172_o, energy = 0.15189491805432
| 72: 2072 -> 2174_na + 172_o + 2177_si, energy = 0.23734621766928002
| 73: 073 + 2166_h -> 169_b + 168_be + 170_c, energy = -0.05976499416446401
| 74: 074 + 5166_h -> 2169_b + 168_be + 167_li + 177_si, energy = 0.027714482003184004
| 75: 2075 -> 2170_c + 173_f + 171_n + 172_o, energy = 0.051882563361792006
| 76: 076 -> 169_b + 167_li + 166_h, energy = 0.10437531671496
| 77: 2077 -> 2169_b + 173_f + 2171_n + 166_h, energy = 0.146033970678288
| 78: 2078 -> 2176_al + 2168_be + 172_o, energy = 0.35893800754128
| 79: 2079 -> 173_f + 7166_h, energy = 0.22236636413328
| 80: 080 + 3166_h -> 169_b + 168_be + 170_c + 167_li, energy = 0.0593138455968
| 81: 2081 -> 2167_li + 178_p + 5166_h, energy = 0.138365560549008
| 82: 2082 + 3166_h -> 4170_c + 171_n, energy = -0.1919333574336
| 83: 2083 + 10166_h -> 6170_c + 173_f + 2167_li, energy = -0.26939513622912
| 84: 084 + 166_h -> 2170_c, energy = -0.029231749934208
| 85: 2085 + 3166_h -> 4170_c + 172_o, energy = -0.18759398071248
| 86: 086 -> 169_b + 2166_h, energy = 0.0101328988202256
| 87: 087 + 4166_h -> 176_al + 169_b + 170_c + 175_mg, energy = -0.08679008418470399
| 88: 2088 + 9166_h -> 6170_c + 171_n + 179_s, energy = -0.6292908982358401
| 89: 2089 + 7166_h -> 2169_b + 4170_c + 171_n, energy = -0.31900554265776
| 90: 2090 -> 2170_c + 3166_h, energy = -0.17370096335856
| 91: 2091 + 3166_h -> 2169_b + 2170_c + 2172_o, energy = 0.060019332954288004
| 92: 092 -> 170_c + 175_mg, energy = -0.0124976758690704
| 93: 2093 -> 171_n + 178_p + 2177_si + 166_h, energy = 0.027734880101616
| 94: 2094 -> 2170_c + 172_o + 179_s + 166_h, energy = 0.071108727294816
| 95: 2095 + 11166_h -> 6170_c + 2175_mg + 178_p, energy = -0.54471846981504
| 96: 2096 + 3166_h -> 4170_c + 178_p, energy = -0.13983693275856
| 97: 2097 + 3166_h -> 4170_c + 179_s, energy = -0.20949643890384
| 98: 2098 -> 172_o + 179_s + 6166_h, energy = 0.2894059895112
| 99: 2099 -> 2170_c + 172_o + 2166_h, energy = 0.108153427008912
| 100: 100 + 3166_h -> 169_b + 2170_c, energy = -0.1575314863476
| 101: 2101 -> 172_o + 7166_h, energy = 0.032593452171888
| 102: 2102 + 166_h -> 2170_c + 2175_mg + 172_o, energy = -0.016780782523343998
| 103: 2103 + 4166_h -> 4170_c + 171_n + 172_o, energy = -0.27361658644368003
| 104: 2104 + 9166_h -> 4170_c + 2167_li + 2177_si, energy = -0.33131133297744003
| 105: 2105 + 3166_h -> 4170_c + 171_n, energy = -0.17097271769328
| 106: 2106 + 4166_h -> 4170_c + 173_f + 178_p, energy = -0.16082147652048
| 107: 2107 -> 2170_c + 2171_n + 166_h, energy = -0.19887508530624
| 108: 2108 -> 2170_c + 171_n + 178_p + 179_s, energy = -0.2007300373824
| 109: 109 -> 171_n + 3166_h, energy = -0.0135058678200864
| 110: 110 + 5166_h -> 3170_c + 175_mg, energy = -0.29802418609872
| 111: 2111 + 8166_h -> 6170_c + 171_n, energy = -0.57744785618976
| 112: 2112 + 9166_h -> 6170_c + 172_o + 178_p, energy = -0.57344313577104
| 113: 2113 + 8166_h -> 4170_c + 2167_li + 2175_mg + 172_o, energy = 0.07245547987176
| 114: 2114 + 2166_h -> 2176_al + 2170_c + 171_n, energy = -0.23409845793456
| 115: 2115 -> 2170_c + 171_n + 172_o + 166_h, energy = -0.10827454071835199
| 116: 2116 -> 2176_al + 173_f + 172_o + 178_p + 166_h, energy = 0.43848581062176
| 117: 2117 + 3166_h -> 4170_c + 173_f, energy = -0.040569427379088
| 118: 118 -> 176_al + 172_o + 166_h, energy = 0.083771165616768
| 119: 2119 -> 173_f + 172_o + 178_p + 5166_h, energy = 0.38464439236992
| 120: 2120 -> 2167_li + 179_s + 5166_h, energy = 0.071990785691856
| 121: 121 + 3166_h -> 176_al + 2170_c, energy = -0.09473801200656
| 122: 2122 + 5166_h -> 2170_c + 2172_o + 178_p + 2177_si, energy = 0.30734994172560004
| 123: 2123 -> 2170_c + 171_n + 2166_h, energy = -0.2001085328208
| 124: 2124 + 8166_h -> 4170_c + 178_p + 2177_si, energy = -0.4962235843944
| 125: 2125 + 166_h -> 2170_c + 180_cl + 2167_li + 179_s, energy = 0.09979610297712
| 126: 2126 + 2166_h -> 2169_b + 2170_c + 172_o, energy = 0.095694650950992
| 127: 127 + 166_h -> 170_c + 177_si, energy = -0.10214985230399999
| 128: 2128 + 166_h -> 2170_c + 2175_mg + 178_p, energy = -0.099090456259488
| 129: 2129 + 18166_h -> 10170_c + 172_o, energy = -0.90933447928704
| 130: 2130 + 8166_h -> 4170_c + 179_s + 2177_si, energy = -0.30614199183408003
| 131: 2131 + 3166_h -> 4170_c + 178_p, energy = -0.15298494143928
| 132: 2132 + 7166_h -> 2169_b + 4170_c + 173_f, energy = -0.060411199548384004
| 133: 2133 -> 173_f + 178_p + 6166_h, energy = 0.17154800781312
| 134: 134 + 2166_h -> 170_c + 171_n + 177_si, energy = -0.130576355430576
| 135: 2135 -> 180_cl + 2171_n + 178_p + 4166_h, energy = 0.062963352254544
| 136: 2136 + 2166_h -> 2169_b + 2170_c + 172_o, energy = 0.078366625693152
| 137: 137 + 166_h -> 170_c + 177_si, energy = -0.0101173452701712
| 138: 2138 -> 171_n + 2174_na + 5166_h, energy = 0.07564778227636801
| 139: 2139 + 3166_h -> 4170_c + 171_n, energy = -0.42500712964224
| 140: 2140 + 2166_h -> 2169_b + 2170_c + 172_o, energy = 0.040458672079008
| 141: 2141 -> 2170_c + 179_s + 2166_h, energy = -0.18294066450767998
| 142: 2142 + 4166_h -> 4170_c + 172_o + 179_s, energy = -0.137475534144768
| 143: 2143 + 3166_h -> 4170_c + 171_n, energy = -0.3066328210776
| 144: 2144 -> 2176_al + 180_cl + 178_p + 2166_h, energy = 0.28534868024496
| 145: 2145 + 11166_h -> 4169_b + 4170_c + 178_p, energy = -0.2771113544016
| 146: 146 + 4166_h -> 176_al + 2170_c + 174_na, energy = -0.08765700336806401
| 147: 2147 + 3166_h -> 2170_c + 173_f + 2177_si, energy = -0.108455414481792
| 148: 2148 + 12166_h -> 2169_b + 4170_c + 179_s + 2177_si, energy = -0.41397622047456
| 149: 2149 -> 2170_c + 171_n + 179_s + 166_h, energy = -0.18644499407424
| 150: 2150 + 7166_h -> 2176_al + 4170_c + 171_n, energy = -0.19022182948704
| 151: 2151 + 3166_h -> 4170_c + 171_n, energy = -0.35889179309952
| 152: 2152 -> 2170_c + 171_n + 172_o + 166_h, energy = 0.094319850988704
| 153: 2153 -> 2180_cl + 172_o + 2177_si, energy = 0.48071306157888
| 154: 2154 + 13166_h -> 6170_c + 173_f + 2177_si, energy = -0.49825064542608
| 155: 155 + 6166_h -> 2176_al + 2170_c + 167_li, energy = -0.11511061281552001
| 156: 2156 + 3166_h -> 180_cl + 4177_si, energy = -0.123964503056016
| 157: 157 + 6166_h -> 4170_c, energy = -0.38354958818064
| 158: 2158 + 8166_h -> 4170_c + 172_o + 2177_si, energy = -0.26154664913712
| 159: 2159 -> 2175_mg + 172_o + 178_p + 3166_h, energy = 0.28747135736303997
| 160: 2160 -> 2180_cl + 178_p + 5166_h, energy = 0.2036941360608
| 161: 2161 -> 180_cl + 2171_n + 5166_h, energy = -0.126460560991488
| 162: 162 + 166_h -> 170_c + 177_si, energy = -0.10238570531712
| 163: 2163 + 4166_h -> 4170_c + 172_o + 179_s, energy = -0.06770096997552
| 164: 2164 -> 2170_c + 171_n + 172_o + 166_h, energy = 0.083324797853424
| 165: 2165 + 10166_h -> 6170_c + 2167_li + 172_o, energy = -0.2177337647472