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|
$TZ (Dunning)
$
$ REFERENCE
$ T.H. DUNNING, JR., J. CHEM. PHYS. 55, 716 (1971).
a 1
$ HYDROGEN (5s) -> [3s]
$ S-TYPE FUNCTIONS
5 3 0
74.6900000 0.02537400 0.00000000 0.00000000
11.2300000 0.18968400 0.00000000 0.00000000
2.5460000 0.85293300 0.00000000 0.00000000
0.7130000 0.00000000 1.00000000 0.00000000
0.2249000 0.00000000 0.00000000 1.00000000
a 3
$ LITHIUM (10s) -> [4s]
$ S-TYPE FUNCTIONS
10 4 0
1783.0000000 0.00082400 0.00000000 0.00000000 0.00000000
267.1000000 0.00640300 0.00000000 0.00000000 0.00000000
60.0700000 0.03323900 0.00000000 0.00000000 0.00000000
16.7800000 0.12662100 0.00000000 0.00000000 0.00000000
5.4030000 0.33774900 0.00000000 0.00000000 0.00000000
1.9060000 0.57566900 0.00000000 0.00000000 0.00000000
0.2634000 0.06231100 0.00000000 0.00000000 0.00000000
0.7179000 0.00000000 1.00000000 0.00000000 0.00000000
0.0771600 0.00000000 0.00000000 1.00000000 0.00000000
0.0285400 0.00000000 0.00000000 0.00000000 1.00000000
a 4
$ BERYLLIUM (10s) -> [5s]
$ S-TYPE FUNCTIONS
11 5 0
3630.0000000 0.00083900 0.00000000 0.00000000 0.00000000 0.00000000
532.3000000 0.00673500 0.00000000 0.00000000 0.00000000 0.00000000
117.8000000 0.03572600 0.00000000 0.00000000 0.00000000 0.00000000
32.6600000 0.13863500 0.00000000 0.00000000 0.00000000 0.00000000
10.4800000 0.38539900 0.00000000 0.00000000 0.00000000 0.00000000
3.6680000 0.54768800 0.00000000 0.00000000 0.00000000 0.00000000
3.6680000 0.00000000 0.21340600 0.00000000 0.00000000 0.00000000
1.3540000 0.00000000 0.81469200 0.00000000 0.00000000 0.00000000
0.3890000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1502000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0524100 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 5
$ BORON (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
6250.0000000 0.00079800 0.00000000 0.00000000 0.00000000 0.00000000
916.1000000 0.00641000 0.00000000 0.00000000 0.00000000 0.00000000
202.2000000 0.03429900 0.00000000 0.00000000 0.00000000 0.00000000
55.8300000 0.13548700 0.00000000 0.00000000 0.00000000 0.00000000
17.8600000 0.38853200 0.00000000 0.00000000 0.00000000 0.00000000
6.2530000 0.54775800 0.00000000 0.00000000 0.00000000 0.00000000
6.2530000 0.00000000 0.23264300 0.00000000 0.00000000 0.00000000
2.3120000 0.00000000 0.79721900 0.00000000 0.00000000 0.00000000
0.6824000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2604000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0894000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
15.4600000 0.01682200 0.00000000 0.00000000
3.4830000 0.10087800 0.00000000 0.00000000
1.0660000 0.33689500 0.00000000 0.00000000
0.3928000 0.67231700 0.00000000 0.00000000
0.1503000 0.00000000 1.00000000 0.00000000
0.0572200 0.00000000 0.00000000 1.00000000
a 6
$ CARBON (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
9471.0000000 0.00077600 0.00000000 0.00000000 0.00000000 0.00000000
1398.0000000 0.00621800 0.00000000 0.00000000 0.00000000 0.00000000
307.5000000 0.03357500 0.00000000 0.00000000 0.00000000 0.00000000
84.5400000 0.13427800 0.00000000 0.00000000 0.00000000 0.00000000
26.9100000 0.39366800 0.00000000 0.00000000 0.00000000 0.00000000
9.4090000 0.54416900 0.00000000 0.00000000 0.00000000 0.00000000
9.4090000 0.00000000 0.24807500 0.00000000 0.00000000 0.00000000
3.5000000 0.00000000 0.78284400 0.00000000 0.00000000 0.00000000
1.0680000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4002000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1351000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
25.3700000 0.01629500 0.00000000 0.00000000
5.7760000 0.10209800 0.00000000 0.00000000
1.7870000 0.34022800 0.00000000 0.00000000
0.6577000 0.66826900 0.00000000 0.00000000
0.2480000 0.00000000 1.00000000 0.00000000
0.0910600 0.00000000 0.00000000 1.00000000
a 7
$ NITROGEN (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
13520.0000000 0.00076000 0.00000000 0.00000000 0.00000000 0.00000000
1999.0000000 0.00607600 0.00000000 0.00000000 0.00000000 0.00000000
440.0000000 0.03284700 0.00000000 0.00000000 0.00000000 0.00000000
120.9000000 0.13239600 0.00000000 0.00000000 0.00000000 0.00000000
38.4700000 0.39326100 0.00000000 0.00000000 0.00000000 0.00000000
13.4600000 0.54633900 0.00000000 0.00000000 0.00000000 0.00000000
13.4600000 0.00000000 0.25203600 0.00000000 0.00000000 0.00000000
4.9930000 0.00000000 0.77938500 0.00000000 0.00000000 0.00000000
1.5690000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5800000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1923000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
35.9100000 0.01691600 0.00000000 0.00000000
8.4800000 0.10220000 0.00000000 0.00000000
2.7060000 0.33813400 0.00000000 0.00000000
0.9921000 0.66928100 0.00000000 0.00000000
0.3727000 0.00000000 1.00000000 0.00000000
0.1346000 0.00000000 0.00000000 1.00000000
a 8
$ OXYGEN (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
18050.0000000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000
2660.0000000 0.00606600 0.00000000 0.00000000 0.00000000 0.00000000
585.7000000 0.03278200 0.00000000 0.00000000 0.00000000 0.00000000
160.9000000 0.13260900 0.00000000 0.00000000 0.00000000 0.00000000
51.1600000 0.39683900 0.00000000 0.00000000 0.00000000 0.00000000
17.9000000 0.54257200 0.00000000 0.00000000 0.00000000 0.00000000
17.9000000 0.00000000 0.26249000 0.00000000 0.00000000 0.00000000
6.6390000 0.00000000 0.76982800 0.00000000 0.00000000 0.00000000
2.0770000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.7736000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2558000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
49.8300000 0.01635800 0.00000000 0.00000000
11.4900000 0.10645300 0.00000000 0.00000000
3.6090000 0.34930200 0.00000000 0.00000000
1.3210000 0.65718300 0.00000000 0.00000000
0.4821000 0.00000000 1.00000000 0.00000000
0.1651000 0.00000000 0.00000000 1.00000000
a 9
$ FLUORINE (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
23340.0000000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000
3431.0000000 0.00608100 0.00000000 0.00000000 0.00000000 0.00000000
757.7000000 0.03263600 0.00000000 0.00000000 0.00000000 0.00000000
209.2000000 0.13170400 0.00000000 0.00000000 0.00000000 0.00000000
66.7300000 0.39624000 0.00000000 0.00000000 0.00000000 0.00000000
23.3700000 0.54367200 0.00000000 0.00000000 0.00000000 0.00000000
23.3700000 0.00000000 0.26489300 0.00000000 0.00000000 0.00000000
8.6240000 0.00000000 0.76792500 0.00000000 0.00000000 0.00000000
2.6920000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.0090000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.3312000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
65.6600000 0.01603700 0.00000000 0.00000000
15.2200000 0.10569700 0.00000000 0.00000000
4.7880000 0.35022700 0.00000000 0.00000000
1.7320000 0.65819500 0.00000000 0.00000000
0.6206000 0.00000000 1.00000000 0.00000000
0.2070000 0.00000000 0.00000000 1.00000000
a 10
$ NEON (10s,6p) -> [5s,3p]
$ S-TYPE FUNCTIONS
11 5 0
28660.0000000 0.00076700 0.00000000 0.00000000 0.00000000 0.00000000
4263.0000000 0.00606800 0.00000000 0.00000000 0.00000000 0.00000000
946.8000000 0.03247400 0.00000000 0.00000000 0.00000000 0.00000000
261.5000000 0.13146800 0.00000000 0.00000000 0.00000000 0.00000000
83.3400000 0.39772300 0.00000000 0.00000000 0.00000000 0.00000000
29.1700000 0.54249100 0.00000000 0.00000000 0.00000000 0.00000000
29.1700000 0.00000000 0.26906500 0.00000000 0.00000000 0.00000000
10.7600000 0.00000000 0.76412100 0.00000000 0.00000000 0.00000000
3.3430000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.2410000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.4063000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
84.8400000 0.03615400 0.00000000 0.00000000
19.7100000 0.23950300 0.00000000 0.00000000
6.2190000 0.34921500 0.00000000 0.00000000
2.2110000 0.66283900 0.00000000 0.00000000
0.7853000 0.00000000 1.00000000 0.00000000
0.2566000 0.00000000 0.00000000 1.00000000
$Elements supported
$H Li Be B C N O F Ne
|
