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16677 lines (16161 loc) · 489 KB
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# RI basis set for H (all-electron) relative DI metric: 1.5e-02
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.5e-02
2
1 0 0 1 1
0.6364837502 1.0000000000
2 0 0 1 1
2.4579249207 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.0e-03
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.0e-03
3
1 0 0 1 1
0.2552786857 1.0000000000
2 0 0 1 1
3.6198122915 1.0000000000
3 1 1 1 1
0.7007968815 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.7e-04
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-04
4
1 0 0 1 1
0.3105445218 1.0000000000
2 0 0 1 1
0.9651256425 1.0000000000
3 0 0 1 1
3.0949772213 1.0000000000
4 1 1 1 1
0.5432074796 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-04
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_008_s_p_d_f_g_h_i_5_1_0_0_0_0_0_error_1.3e-04
6
1 0 0 1 1
0.2785826321 1.0000000000
2 0 0 1 1
0.5879680481 1.0000000000
3 0 0 1 1
1.2072643744 1.0000000000
4 0 0 1 1
2.6693395645 1.0000000000
5 0 0 1 1
5.2394990941 1.0000000000
6 1 1 1 1
0.4900456184 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-06
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_1.3e-06
7
1 0 0 1 1
0.2200602014 1.0000000000
2 0 0 1 1
0.4399905525 1.0000000000
3 0 0 1 1
1.2502261621 1.0000000000
4 0 0 1 1
3.6298498522 1.0000000000
5 0 0 1 1
7.0326865470 1.0000000000
6 1 1 1 1
0.2492167327 1.0000000000
7 1 1 1 1
1.5273474371 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.7e-07
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_4.7e-07
10
1 0 0 1 1
0.2369109995 1.0000000000
2 0 0 1 1
0.5060539998 1.0000000000
3 0 0 1 1
0.9942179999 1.0000000000
4 0 0 1 1
1.7751000000 1.0000000000
5 0 0 1 1
4.9229699991 1.0000000000
6 0 0 1 1
23.3214999998 1.0000000000
7 1 1 1 1
0.3478919970 1.0000000000
8 1 1 1 1
0.6223361128 1.0000000000
9 1 1 1 1
1.1132829667 1.0000000000
10 1 1 1 1
1.9915266663 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.5e-08
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_3.5e-08
13
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333333 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-08
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_1.3e-08
15
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333333 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
1.2860533333 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-02
H RI_aug-SZV-MOLOPT-ae_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.3e-02
2
1 0 0 1 1
0.4805569653 1.0000000000
2 0 0 1 1
2.1834666323 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-04
H RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.3e-04
4
1 0 0 1 1
0.4327270288 1.0000000000
2 0 0 1 1
1.0802448276 1.0000000000
3 0 0 1 1
4.1159522843 1.0000000000
4 1 1 1 1
0.3741982228 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.4e-05
H RI_aug-SZV-MOLOPT-ae_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.4e-05
5
1 0 0 1 1
0.1487770976 1.0000000000
2 0 0 1 1
0.5105034533 1.0000000000
3 0 0 1 1
1.1063661205 1.0000000000
4 0 0 1 1
5.9552917212 1.0000000000
5 1 1 1 1
0.3674521516 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.4e-06
H RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_2.4e-06
6
1 0 0 1 1
0.1764834857 1.0000000000
2 0 0 1 1
0.4925801649 1.0000000000
3 0 0 1 1
1.1727895186 1.0000000000
4 0 0 1 1
4.9135650575 1.0000000000
5 1 1 1 1
0.2711921775 1.0000000000
6 1 1 1 1
1.6074447029 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 9.8e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_9.8e-07
7
1 0 0 1 1
0.2170009784 1.0000000000
2 0 0 1 1
0.4410485534 1.0000000000
3 0 0 1 1
1.0542154011 1.0000000000
4 0 0 1 1
2.7792232468 1.0000000000
5 0 0 1 1
8.8765570199 1.0000000000
6 1 1 1 1
0.2325795252 1.0000000000
7 1 1 1 1
1.3163036644 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.4e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_3.4e-07
10
1 0 0 1 1
0.2350618650 1.0000000000
2 0 0 1 1
0.5052340022 1.0000000000
3 0 0 1 1
0.9936556058 1.0000000000
4 0 0 1 1
1.7749267927 1.0000000000
5 0 0 1 1
4.9213708088 1.0000000000
6 0 0 1 1
23.3219919414 1.0000000000
7 1 1 1 1
0.2635391247 1.0000000000
8 1 1 1 1
0.8270918706 1.0000000000
9 1 1 1 1
1.9826522887 1.0000000000
10 2 2 1 1
0.9794814801 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.1e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_1.1e-07
12
1 0 0 1 1
0.2241441298 1.0000000000
2 0 0 1 1
0.4188097859 1.0000000000
3 0 0 1 1
0.7544730669 1.0000000000
4 0 0 1 1
1.3556095300 1.0000000000
5 0 0 1 1
2.4300856355 1.0000000000
6 0 0 1 1
4.3510092418 1.0000000000
7 0 0 1 1
7.8363248142 1.0000000000
8 1 1 1 1
0.1298778793 1.0000000000
9 1 1 1 1
0.4403713398 1.0000000000
10 1 1 1 1
1.4931481731 1.0000000000
11 2 2 1 1
0.6205955943 1.0000000000
12 2 2 1 1
1.2340233898 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 5.1e-08
H RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_5.1e-08
15
1 0 0 1 1
0.2369109999 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949225 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333335 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
1.2860533333 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.9e-03
H RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_2.9e-03
3
1 0 0 1 1
0.6020328442 1.0000000000
2 0 0 1 1
2.0551121420 1.0000000000
3 1 1 1 1
1.1065929596 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.4e-05
H RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.4e-05
5
1 0 0 1 1
0.3735675702 1.0000000000
2 0 0 1 1
0.8864765188 1.0000000000
3 0 0 1 1
5.0288475332 1.0000000000
4 1 1 1 1
0.3303148160 1.0000000000
5 1 1 1 1
1.4513187711 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.6e-05
H RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_1.6e-05
7
1 0 0 1 1
0.2819663791 1.0000000000
2 0 0 1 1
0.6323106124 1.0000000000
3 0 0 1 1
1.7000274384 1.0000000000
4 0 0 1 1
9.3565662629 1.0000000000
5 1 1 1 1
0.2117538520 1.0000000000
6 1 1 1 1
0.6280621919 1.0000000000
7 1 1 1 1
1.8253246023 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 6.3e-07
H RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.3e-07
8
1 0 0 1 1
0.2427161444 1.0000000000
2 0 0 1 1
0.5773799365 1.0000000000
3 0 0 1 1
1.7983762709 1.0000000000
4 0 0 1 1
9.5769277682 1.0000000000
5 1 1 1 1
0.2318801459 1.0000000000
6 1 1 1 1
0.6342948358 1.0000000000
7 1 1 1 1
1.9313895689 1.0000000000
8 2 2 1 1
1.2035077028 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.5e-07
H RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.5e-07
9
1 0 0 1 1
0.1541784933 1.0000000000
2 0 0 1 1
0.4872638522 1.0000000000
3 0 0 1 1
1.2896085706 1.0000000000
4 0 0 1 1
2.7708466656 1.0000000000
5 0 0 1 1
9.1784327278 1.0000000000
6 1 1 1 1
0.2591148909 1.0000000000
7 1 1 1 1
0.6397858506 1.0000000000
8 1 1 1 1
1.9839356512 1.0000000000
9 2 2 1 1
1.5281545369 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 6.1e-08
H RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_6.1e-08
11
1 0 0 1 1
0.1629095425 1.0000000000
2 0 0 1 1
0.4154636073 1.0000000000
3 0 0 1 1
1.2377267256 1.0000000000
4 0 0 1 1
3.1601335660 1.0000000000
5 0 0 1 1
9.9061915067 1.0000000000
6 1 1 1 1
0.2266362479 1.0000000000
7 1 1 1 1
0.6650698011 1.0000000000
8 1 1 1 1
1.9905989356 1.0000000000
9 2 2 1 1
0.8366461724 1.0000000000
10 2 2 1 1
1.3744872974 1.0000000000
11 3 3 1 1
1.3312038025 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.9e-08
H RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_6_3_1_0_0_0_error_2.9e-08
17
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043095 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333335 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266666 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
0.8968021124 1.0000000000
16 2 2 1 1
1.2860533334 1.0000000000
17 3 3 1 1
1.1981100000 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 9.0e-03
H RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_9.0e-03
5
1 0 0 1 1
0.4920300024 1.0000000000
2 0 0 1 1
1.6049088854 1.0000000000
3 0 0 1 1
9.4056393035 1.0000000000
4 1 1 1 1
1.2220981421 1.0000000000
5 2 2 1 1
1.2033086289 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 5.9e-04
H RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_5.9e-04
7
1 0 0 1 1
0.4222122864 1.0000000000
2 0 0 1 1
0.9645053830 1.0000000000
3 0 0 1 1
3.4608046993 1.0000000000
4 0 0 1 1
10.6963281183 1.0000000000
5 1 1 1 1
0.5289683271 1.0000000000
6 1 1 1 1
2.1250573245 1.0000000000
7 2 2 1 1
1.3115890895 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.0e-04
H RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.0e-04
8
1 0 0 1 1
0.3227056137 1.0000000000
2 0 0 1 1
1.1861118630 1.0000000000
3 0 0 1 1
4.3595819219 1.0000000000
4 0 0 1 1
16.0237478615 1.0000000000
5 1 1 1 1
0.5037358136 1.0000000000
6 1 1 1 1
1.8993450245 1.0000000000
7 2 2 1 1
0.4561915998 1.0000000000
8 2 2 1 1
1.5673930803 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.6e-05
H RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.6e-05
9
1 0 0 1 1
0.4870324295 1.0000000000
2 0 0 1 1
1.7744452734 1.0000000000
3 0 0 1 1
6.4649822623 1.0000000000
4 0 0 1 1
23.5544011224 1.0000000000
5 1 1 1 1
0.1997035395 1.0000000000
6 1 1 1 1
0.5877622634 1.0000000000
7 1 1 1 1
2.1620970442 1.0000000000
8 2 2 1 1
0.3710609969 1.0000000000
9 2 2 1 1
1.4863697565 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.5e-06
H RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_4.5e-06
13
1 0 0 1 1
0.2249316285 1.0000000000
2 0 0 1 1
0.4979081683 1.0000000000
3 0 0 1 1
0.9872873263 1.0000000000
4 0 0 1 1
1.7846470216 1.0000000000
5 0 0 1 1
5.1187494220 1.0000000000
6 0 0 1 1
26.8039600727 1.0000000000
7 1 1 1 1
0.2794776723 1.0000000000
8 1 1 1 1
0.5310113443 1.0000000000
9 1 1 1 1
1.5185390663 1.0000000000
10 1 1 1 1
6.8263430324 1.0000000000
11 1 1 1 1
18.2662499465 1.0000000000
12 2 2 1 1
0.4693442359 1.0000000000
13 2 2 1 1
1.4730352119 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.2e-03
He RI_aug-SZV-MOLOPT-ae_N_RI_003_s_p_d_f_g_h_i_3_0_0_0_0_0_0_error_4.2e-03
3
1 0 0 1 1
0.2928573659 1.0000000000
2 0 0 1 1
2.6608694544 1.0000000000
3 0 0 1 1
11.9714078591 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 2.5e-06
He RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_6_1_0_0_0_0_0_error_2.5e-06
7
1 0 0 1 1
0.2767048707 1.0000000000
2 0 0 1 1
0.8362575869 1.0000000000
3 0 0 1 1
2.0077680651 1.0000000000
4 0 0 1 1
4.9747970507 1.0000000000
5 0 0 1 1
15.6006625991 1.0000000000
6 0 0 1 1
69.8876707484 1.0000000000
7 1 1 1 1
0.3001402433 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 7.2e-07
He RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_7.2e-07
10
1 0 0 1 1
0.3281284314 1.0000000000
2 0 0 1 1
0.8455612806 1.0000000000
3 0 0 1 1
2.0026886479 1.0000000000
4 0 0 1 1
5.0111238866 1.0000000000
5 0 0 1 1
15.5809589082 1.0000000000
6 0 0 1 1
69.9393812976 1.0000000000
7 1 1 1 1
0.3663977236 1.0000000000
8 1 1 1 1
0.8930771227 1.0000000000
9 1 1 1 1
1.9514158980 1.0000000000
10 1 1 1 1
4.1899471264 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.4e-07
He RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_1.4e-07
13
1 0 0 1 1
0.3443410323 1.0000000000
2 0 0 1 1
0.7411806536 1.0000000000
3 0 0 1 1
1.4800690631 1.0000000000
4 0 0 1 1
2.9448035261 1.0000000000
5 0 0 1 1
5.8770659493 1.0000000000
6 0 0 1 1
11.7021618371 1.0000000000
7 0 0 1 1
23.3290181415 1.0000000000
8 1 1 1 1
0.3187967579 1.0000000000
9 1 1 1 1
0.7176523604 1.0000000000
10 1 1 1 1
1.6155274402 1.0000000000
11 1 1 1 1
3.6367593196 1.0000000000
12 2 2 1 1
3.5200600000 1.0000000000
13 3 3 1 1
5.4484895350 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 8.4e-03
He RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_8.4e-03
3
1 0 0 1 1
0.5800765063 1.0000000000
2 0 0 1 1
4.9791481247 1.0000000000
3 1 1 1 1
1.5526672041 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.8e-04
He RI_aug-DZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_1.8e-04
5
1 0 0 1 1
0.5282943733 1.0000000000
2 0 0 1 1
2.8184144556 1.0000000000
3 0 0 1 1
22.4734319396 1.0000000000
4 1 1 1 1
1.5711890881 1.0000000000
5 2 2 1 1
0.8890133475 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.5e-05
He RI_aug-DZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.5e-05
6
1 0 0 1 1
0.6195053070 1.0000000000
2 0 0 1 1
1.7594147045 1.0000000000
3 0 0 1 1
12.2639524681 1.0000000000
4 1 1 1 1
0.8901940527 1.0000000000
5 1 1 1 1
2.5082462491 1.0000000000
6 2 2 1 1
0.9644685161 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 9.7e-06
He RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.7e-06
8
1 0 0 1 1
0.2638845757 1.0000000000
2 0 0 1 1
0.5413964588 1.0000000000
3 0 0 1 1
3.3104898593 1.0000000000
4 0 0 1 1
21.3700049021 1.0000000000
5 1 1 1 1
0.4792470960 1.0000000000
6 1 1 1 1
1.4306470355 1.0000000000
7 1 1 1 1
6.1955237895 1.0000000000
8 2 2 1 1
0.8998154095 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.3e-06
He RI_aug-DZVP-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.3e-06
10
1 0 0 1 1
0.4365368485 1.0000000000
2 0 0 1 1
0.9183589121 1.0000000000
3 0 0 1 1
2.7589628897 1.0000000000
4 0 0 1 1
8.2365058627 1.0000000000
5 0 0 1 1
25.0808309776 1.0000000000
6 1 1 1 1
0.3914492770 1.0000000000
7 1 1 1 1
1.4970236906 1.0000000000
8 1 1 1 1
10.6487657292 1.0000000000
9 2 2 1 1
0.6531873035 1.0000000000
10 2 2 1 1
2.9127472641 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 2.2e-07
He RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_2.2e-07
13
1 0 0 1 1
0.3916064848 1.0000000000
2 0 0 1 1
0.7983076335 1.0000000000
3 0 0 1 1
1.9161374414 1.0000000000
4 0 0 1 1
5.1148113183 1.0000000000
5 0 0 1 1
15.4457405077 1.0000000000
6 0 0 1 1
69.2530691074 1.0000000000
7 1 1 1 1
0.4225747359 1.0000000000
8 1 1 1 1
1.1801707253 1.0000000000
9 1 1 1 1
3.0262184761 1.0000000000
10 1 1 1 1
7.3548905738 1.0000000000
11 1 1 1 1
21.6252263653 1.0000000000
12 2 2 1 1
0.6824457002 1.0000000000
13 2 2 1 1
2.6660108059 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 5.9e-08
He RI_aug-DZVP-MOLOPT-ae_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_5.9e-08
14
1 0 0 1 1
0.3897135965 1.0000000000
2 0 0 1 1
0.7778372153 1.0000000000
3 0 0 1 1
1.8828863133 1.0000000000
4 0 0 1 1
5.1492641924 1.0000000000
5 0 0 1 1
15.4159046642 1.0000000000
6 0 0 1 1
68.7694127854 1.0000000000
7 1 1 1 1
0.4275319008 1.0000000000
8 1 1 1 1
1.1759845528 1.0000000000
9 1 1 1 1
3.0069168037 1.0000000000
10 1 1 1 1
7.3081681638 1.0000000000
11 1 1 1 1
21.3050249152 1.0000000000
12 2 2 1 1
0.5049976236 1.0000000000
13 2 2 1 1
1.5193023142 1.0000000000
14 2 2 1 1
3.5925551628 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.7e-02
He RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.7e-02
5
1 0 0 1 1
0.4580211668 1.0000000000
2 0 0 1 1
1.6811714090 1.0000000000
3 0 0 1 1
13.0932111484 1.0000000000
4 1 1 1 1
2.4213666598 1.0000000000
5 2 2 1 1
2.8667761206 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.7e-03
He RI_aug-TZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.7e-03
6
1 0 0 1 1
0.4643512619 1.0000000000
2 0 0 1 1
1.7719289689 1.0000000000
3 0 0 1 1
12.7109646723 1.0000000000
4 1 1 1 1
1.0729188442 1.0000000000
5 1 1 1 1
3.7462593856 1.0000000000
6 2 2 1 1
2.8517757422 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.3e-04
He RI_aug-TZVP-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_3_2_1_1_0_0_0_error_4.3e-04
7
1 0 0 1 1
0.4472018813 1.0000000000
2 0 0 1 1
1.9938195056 1.0000000000
3 0 0 1 1
15.3573344407 1.0000000000
4 1 1 1 1
1.0669120878 1.0000000000
5 1 1 1 1
3.7064460128 1.0000000000
6 2 2 1 1
2.8788531349 1.0000000000
7 3 3 1 1
1.1880376992 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.9e-05
He RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.9e-05
9
1 0 0 1 1
0.4872773998 1.0000000000
2 0 0 1 1
1.2585594729 1.0000000000
3 0 0 1 1
4.8845478311 1.0000000000
4 0 0 1 1
21.1818885779 1.0000000000
5 1 1 1 1
0.4414845041 1.0000000000
6 1 1 1 1
1.2626597190 1.0000000000
7 1 1 1 1
4.0152980628 1.0000000000
8 2 2 1 1
2.8684021807 1.0000000000
9 3 3 1 1
0.8764308672 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.9e-06
He RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_3.9e-06
10
1 0 0 1 1
0.4836629894 1.0000000000
2 0 0 1 1
0.9303353671 1.0000000000
3 0 0 1 1
2.5301957601 1.0000000000
4 0 0 1 1
17.5846943901 1.0000000000
5 1 1 1 1
0.4944364031 1.0000000000
6 1 1 1 1
1.1188370757 1.0000000000
7 1 1 1 1
4.0527542391 1.0000000000
8 2 2 1 1
1.3294446263 1.0000000000
9 2 2 1 1
3.6676568402 1.0000000000
10 3 3 1 1
0.9253742267 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 8.1e-07
He RI_aug-TZVP-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_5_3_2_2_0_0_0_error_8.1e-07
12
1 0 0 1 1
0.4189913763 1.0000000000
2 0 0 1 1
0.9059352217 1.0000000000
3 0 0 1 1
2.5115961909 1.0000000000
4 0 0 1 1
8.0063470036 1.0000000000
5 0 0 1 1
23.9720187989 1.0000000000
6 1 1 1 1
0.3956710565 1.0000000000
7 1 1 1 1
1.1755188147 1.0000000000
8 1 1 1 1
4.0218764859 1.0000000000
9 2 2 1 1
1.3294769183 1.0000000000
10 2 2 1 1
3.6681727074 1.0000000000
11 3 3 1 1
0.6094842030 1.0000000000
12 3 3 1 1
1.9854582875 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.7e-07
He RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_4_2_2_0_0_0_error_1.7e-07
14
1 0 0 1 1
0.2924788290 1.0000000000
2 0 0 1 1
0.6876110148 1.0000000000
3 0 0 1 1
1.6523223972 1.0000000000
4 0 0 1 1
5.0465646470 1.0000000000
5 0 0 1 1
15.5242006611 1.0000000000
6 0 0 1 1
69.4810839591 1.0000000000
7 1 1 1 1
0.3811631732 1.0000000000
8 1 1 1 1
0.9449083361 1.0000000000
9 1 1 1 1
1.9428203927 1.0000000000
10 1 1 1 1
4.6179679381 1.0000000000
11 2 2 1 1
1.2924316314 1.0000000000
12 2 2 1 1
3.6667957210 1.0000000000
13 3 3 1 1
0.5468297685 1.0000000000
14 3 3 1 1
1.4760179520 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.7e-04
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.7e-04
5
1 0 0 1 1
0.3496297613 1.0000000000
2 0 0 1 1
2.3116122905 1.0000000000
3 0 0 1 1
15.3170386416 1.0000000000
4 1 1 1 1
0.1457880413 1.0000000000
5 1 1 1 1
1.4263325185 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.8e-05
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_012_s_p_d_f_g_h_i_6_2_0_0_0_0_0_error_9.8e-05
8
1 0 0 1 1
0.1266926627 1.0000000000
2 0 0 1 1
0.3848526156 1.0000000000
3 0 0 1 1
0.9557526311 1.0000000000
4 0 0 1 1
2.5299606082 1.0000000000
5 0 0 1 1
8.5663489658 1.0000000000
6 0 0 1 1
27.1841685368 1.0000000000
7 1 1 1 1
0.1587638527 1.0000000000
8 1 1 1 1
1.4399827773 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.2e-07
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_9.2e-07
9
1 0 0 1 1
0.1245879747 1.0000000000
2 0 0 1 1
0.3786907139 1.0000000000
3 0 0 1 1
0.9664745050 1.0000000000
4 0 0 1 1
2.6282373054 1.0000000000
5 0 0 1 1
8.7516610522 1.0000000000
6 0 0 1 1
27.0343284342 1.0000000000
7 1 1 1 1
0.1175657934 1.0000000000
8 1 1 1 1
0.9935990820 1.0000000000
9 1 1 1 1
4.0128832489 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.8e-02
Li RI_aug-SZV-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.8e-02
3
1 0 0 1 1