GMTKN30 MB08-165
References
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