blob: 1e129530feb0ccb483e1f7e198f75b3a91afb263 (
plain)
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
|
Br-O-Br theta0= 1.9955063783 Ktheta= 1.075234633615 CenterHybridization= sp3
Br-O-Cl theta0= 1.9836560273 Ktheta= 1.125377505930 CenterHybridization= sp3
Br-O-F theta0= 1.8689157280 Ktheta= 1.169810559347 CenterHybridization= sp3
Br-O-H theta0= 1.7937954358 Ktheta= 0.738586042670 CenterHybridization= sp3
Cl-O-Cl theta0= 1.9676157062 Ktheta= 1.252446877326 CenterHybridization= sp3
Cl-O-F theta0= 1.8648778756 Ktheta= 1.352329192433 CenterHybridization= sp3
Cl-O-H theta0= 1.7948833519 Ktheta= 0.800425120393 CenterHybridization= sp3
F-O-F theta0= 1.8136666603 Ktheta= 1.559833128520 CenterHybridization= sp3
F-O-H theta0= 1.7119020602 Ktheta= 1.014743173661 CenterHybridization= sp3
As-O-As theta0= 2.2151625989 Ktheta= 0.694936238034 CenterHybridization= sp3
As-O-Br theta0= 2.0882824107 Ktheta= 0.828632804523 CenterHybridization= sp3
As-O-Cl theta0= 2.0574975743 Ktheta= 0.882814946338 CenterHybridization= sp3
As-O-F theta0= 1.9057956276 Ktheta= 0.864592108603 CenterHybridization= sp3
As-O-H theta0= 1.9724580263 Ktheta= 0.466484800794 CenterHybridization= sp3
As-O-O theta0= 1.8985518113 Ktheta= 0.963265039915 CenterHybridization= sp3
As-O-P theta0= 2.2315833599 Ktheta= 0.683317085924 CenterHybridization= sp3
As-O-S theta0= 2.0498300148 Ktheta= 0.752264021108 CenterHybridization= sp3
As-O-Se theta0= 2.0530732694 Ktheta= 0.705950033992 CenterHybridization= sp3
N-O-As theta0= 1.9801748355 Ktheta= 0.941653515352 CenterHybridization= sp3
N-O-Br theta0= 2.0202229074 Ktheta= 1.070406737408 CenterHybridization= sp3
N-O-Cl theta0= 1.9962689441 Ktheta= 1.161930252221 CenterHybridization= sp3
N-O-F theta0= 1.8916037027 Ktheta= 1.238124356812 CenterHybridization= sp3
N-O-H theta0= 1.7923755372 Ktheta= 0.921274485323 CenterHybridization= sp3
N-O-N theta0= 1.9283411712 Ktheta= 1.711733342327 CenterHybridization= sp3
N-O-O theta0= 1.8762793070 Ktheta= 1.610338711250 CenterHybridization= sp3
N-O-P theta0= 2.0015691163 Ktheta= 1.010871194288 CenterHybridization= sp3
N-O-S theta0= 1.8585553523 Ktheta= 1.101592372291 CenterHybridization= sp3
N-O-Se theta0= 1.8516103224 Ktheta= 0.987921545567 CenterHybridization= sp3
P-O-Br theta0= 2.1272766772 Ktheta= 0.829523865511 CenterHybridization= sp3
P-O-Cl theta0= 2.0910122313 Ktheta= 0.920901683504 CenterHybridization= sp3
P-O-F theta0= 1.9416072618 Ktheta= 0.959736390513 CenterHybridization= sp3
P-O-H theta0= 2.0260346304 Ktheta= 0.507094751475 CenterHybridization= sp3
P-O-O theta0= 1.9338731302 Ktheta= 1.052967215112 CenterHybridization= sp3
P-O-P theta0= 2.2639581092 Ktheta= 0.633622530525 CenterHybridization= sp3
P-O-S theta0= 2.0913826425 Ktheta= 0.698286015575 CenterHybridization= sp3
P-O-Se theta0= 2.1143651939 Ktheta= 0.628488307756 CenterHybridization= sp3
C-O-As theta0= 2.0710076043 Ktheta= 0.857906344238 CenterHybridization= sp3
C-O-Br theta0= 1.9491291334 Ktheta= 1.205668168925 CenterHybridization= sp3
C-O-C theta0= 1.9700068649 Ktheta= 1.197791683028 CenterHybridization= sp3
C-O-Cl theta0= 1.9304922354 Ktheta= 1.306331242803 CenterHybridization= sp3
C-O-F theta0= 1.8286080034 Ktheta= 1.424741505741 CenterHybridization= sp3
C-O-H theta0= 1.8983582683 Ktheta= 0.760397107508 CenterHybridization= sp3
C-O-N theta0= 1.9702141961 Ktheta= 1.438512049637 CenterHybridization= sp3
C-O-O theta0= 1.8257686983 Ktheta= 1.463888970900 CenterHybridization= sp3
C-O-P theta0= 2.1037064211 Ktheta= 0.850491048808 CenterHybridization= sp3
C-O-S theta0= 1.9407027170 Ktheta= 1.043271684984 CenterHybridization= sp3
C-O-Se theta0= 1.9455161151 Ktheta= 0.984751547681 CenterHybridization= sp3
Ge-O-As theta0= 2.1932988961 Ktheta= 0.426600819049 CenterHybridization= sp3
Ge-O-Br theta0= 1.9751720412 Ktheta= 0.728136766130 CenterHybridization= sp3
Ge-O-C theta0= 2.0544514686 Ktheta= 0.590264070229 CenterHybridization= sp3
Ge-O-Cl theta0= 1.9487055944 Ktheta= 0.712423366353 CenterHybridization= sp3
Ge-O-F theta0= 1.7648073792 Ktheta= 0.802650583747 CenterHybridization= sp3
Ge-O-Ge theta0= 2.2645714755 Ktheta= 0.267760064338 CenterHybridization= sp3
Ge-O-H theta0= 1.9745788701 Ktheta= 0.417826820445 CenterHybridization= sp3
Ge-O-N theta0= 2.0089420363 Ktheta= 0.745330136694 CenterHybridization= sp3
Ge-O-O theta0= 1.8145336614 Ktheta= 0.798434711789 CenterHybridization= sp3
Ge-O-P theta0= 2.2137745124 Ktheta= 0.430747384857 CenterHybridization= sp3
Ge-O-S theta0= 2.0497109135 Ktheta= 0.540151862993 CenterHybridization= sp3
Ge-O-Se theta0= 2.0261615280 Ktheta= 0.619831439275 CenterHybridization= sp3
Ge-O-Si theta0= 2.3489272699 Ktheta= 0.195331168210 CenterHybridization= sp3
Si-O-As theta0= 2.2339191061 Ktheta= 0.353747763417 CenterHybridization= sp3
Si-O-Br theta0= 1.9961663414 Ktheta= 0.599618888620 CenterHybridization= sp3
Si-O-C theta0= 2.1550651585 Ktheta= 0.396453587225 CenterHybridization= sp3
Si-O-Cl theta0= 1.9632458940 Ktheta= 0.625871747661 CenterHybridization= sp3
Si-O-F theta0= 1.7851967519 Ktheta= 0.685392421077 CenterHybridization= sp3
Si-O-H theta0= 2.0717272489 Ktheta= 0.339731942778 CenterHybridization= sp3
Si-O-N theta0= 2.0376421782 Ktheta= 0.597773781684 CenterHybridization= sp3
Si-O-O theta0= 1.8490710045 Ktheta= 0.666741813647 CenterHybridization= sp3
Si-O-P theta0= 2.2837206154 Ktheta= 0.290858217547 CenterHybridization= sp3
Si-O-S theta0= 2.1289798358 Ktheta= 0.405335253700 CenterHybridization= sp3
Si-O-Se theta0= 2.1450784753 Ktheta= 0.392605788759 CenterHybridization= sp3
Si-O-Si theta0= 3.0880606181 Ktheta= 0.042944355224 CenterHybridization= sp3
O-O-Br theta0= 1.8401062203 Ktheta= 1.301733602640 CenterHybridization= sp3
O-O-Cl theta0= 1.8395422189 Ktheta= 1.450694992881 CenterHybridization= sp3
O-O-F theta0= 1.8352659144 Ktheta= 1.648181123492 CenterHybridization= sp3
O-O-H theta0= 1.7282316259 Ktheta= 0.967404359270 CenterHybridization= sp3
O-O-O theta0= 1.8032984656 Ktheta= 1.815396091842 CenterHybridization= sp3
O-O-S theta0= 1.7928422749 Ktheta= 1.207093425926 CenterHybridization= sp3
S-O-Br theta0= 1.9280492841 Ktheta= 0.966128168577 CenterHybridization= sp3
S-O-Cl theta0= 1.9062506768 Ktheta= 1.066900080809 CenterHybridization= sp3
S-O-F theta0= 1.7927401399 Ktheta= 1.184592616428 CenterHybridization= sp3
S-O-H theta0= 1.8414215842 Ktheta= 0.693603945111 CenterHybridization= sp3
S-O-S theta0= 1.9082527597 Ktheta= 0.931833158455 CenterHybridization= sp3
Se-O-Br theta0= 1.9273708589 Ktheta= 0.891526229683 CenterHybridization= sp3
Se-O-Cl theta0= 1.9091789553 Ktheta= 0.947545987530 CenterHybridization= sp3
Se-O-F theta0= 1.7778246592 Ktheta= 1.028895793730 CenterHybridization= sp3
Se-O-H theta0= 1.8328266353 Ktheta= 0.654344088293 CenterHybridization= sp3
Se-O-O theta0= 1.7793129869 Ktheta= 1.095744362965 CenterHybridization= sp3
Se-O-S theta0= 1.9286218708 Ktheta= 0.841583671339 CenterHybridization= sp3
Se-O-Se theta0= 1.9334579443 Ktheta= 0.817028559323 CenterHybridization= sp3
H-O-H theta0= 1.8465727699 Ktheta= 0.667156053774 CenterHybridization= sp3
Al-O-Al theta0= 3.1415420651 Ktheta= 0.091100210035 CenterHybridization= sp3
Al-O-As theta0= 2.3129498224 Ktheta= 0.226704457638 CenterHybridization= sp3
Al-O-B theta0= 3.1415693848 Ktheta= 0.106589559748 CenterHybridization= sp3
Al-O-Br theta0= 2.1035698700 Ktheta= 0.407894828658 CenterHybridization= sp3
Al-O-Cl theta0= 2.0853335268 Ktheta= 0.400661729452 CenterHybridization= sp3
Al-O-F theta0= 1.8274469964 Ktheta= 0.525024834837 CenterHybridization= sp3
Al-O-H theta0= 2.2260664963 Ktheta= 0.147229943805 CenterHybridization= sp3
Al-O-N theta0= 2.9018006985 Ktheta= 0.053711401704 CenterHybridization= sp3
Al-O-O theta0= 1.9200989376 Ktheta= 0.458516000363 CenterHybridization= sp3
Al-O-P theta0= 3.0833679182 Ktheta= 0.060270571307 CenterHybridization= sp3
Al-O-S theta0= 2.2518992577 Ktheta= 0.250291440310 CenterHybridization= sp3
Al-O-Se theta0= 2.2717990480 Ktheta= 0.256002796073 CenterHybridization= sp3
B-O-As theta0= 2.1249978357 Ktheta= 0.631054038651 CenterHybridization= sp3
B-O-B theta0= 2.1927451782 Ktheta= 0.619571793936 CenterHybridization= sp3
B-O-Br theta0= 2.0717079595 Ktheta= 0.966841054165 CenterHybridization= sp3
B-O-Cl theta0= 2.0501862923 Ktheta= 1.065425403638 CenterHybridization= sp3
B-O-F theta0= 1.9283191173 Ktheta= 1.250849719120 CenterHybridization= sp3
B-O-H theta0= 1.9918559646 Ktheta= 0.555063899947 CenterHybridization= sp3
B-O-N theta0= 2.0125775362 Ktheta= 1.113770609706 CenterHybridization= sp3
B-O-O theta0= 1.9573674959 Ktheta= 1.144820869949 CenterHybridization= sp3
B-O-P theta0= 2.1405117114 Ktheta= 0.647558896093 CenterHybridization= sp3
B-O-S theta0= 2.0837814055 Ktheta= 0.746376005727 CenterHybridization= sp3
B-O-Se theta0= 2.0849427144 Ktheta= 0.669794913551 CenterHybridization= sp3
Ga-O-Al theta0= 3.1397396270 Ktheta= 0.072702158442 CenterHybridization= sp3
Ga-O-As theta0= 2.2135883207 Ktheta= 0.335380489360 CenterHybridization= sp3
Ga-O-B theta0= 2.2035672702 Ktheta= 0.377430539113 CenterHybridization= sp3
Ga-O-Br theta0= 2.0421525104 Ktheta= 0.668322100033 CenterHybridization= sp3
Ga-O-Cl theta0= 2.0378163620 Ktheta= 0.577540580454 CenterHybridization= sp3
Ga-O-F theta0= 1.8278283265 Ktheta= 0.683974055173 CenterHybridization= sp3
Ga-O-Ga theta0= 3.1415870632 Ktheta= 0.057919427480 CenterHybridization= sp3
Ga-O-H theta0= 1.9905578725 Ktheta= 0.340886427833 CenterHybridization= sp3
Ga-O-N theta0= 1.9616805920 Ktheta= 0.642429261256 CenterHybridization= sp3
Ga-O-O theta0= 1.8916664682 Ktheta= 0.654588219427 CenterHybridization= sp3
Ga-O-P theta0= 2.2135875335 Ktheta= 0.345769636510 CenterHybridization= sp3
Ga-O-S theta0= 2.1536149767 Ktheta= 0.383850752066 CenterHybridization= sp3
Ga-O-Se theta0= 2.1637413979 Ktheta= 0.348633367688 CenterHybridization= sp3
C-O-Al theta0= 2.3594951093 Ktheta= 0.215002202226 CenterHybridization= sp3
C-O-B theta0= 2.1428934453 Ktheta= 0.955911818377 CenterHybridization= sp3
C-O-Ga theta0= 2.1764827378 Ktheta= 0.461444122414 CenterHybridization= sp3
Ge-O-Al theta0= 2.6046876192 Ktheta= 0.075049564053 CenterHybridization= sp3
Ge-O-B theta0= 2.2229335605 Ktheta= 0.464100214990 CenterHybridization= sp3
Ge-O-Ga theta0= 2.3108478089 Ktheta= 0.283838138329 CenterHybridization= sp3
Si-O-Al theta0= 3.1213748310 Ktheta= 0.114692346877 CenterHybridization= sp3
Si-O-B theta0= 2.3553070644 Ktheta= 0.232724532994 CenterHybridization= sp3
Si-O-Ga theta0= 2.5249542316 Ktheta= 0.130567967634 CenterHybridization= sp3
|
