MOLPRO Basis Query, element=Fe, basis=AV5Z, l=s

Basis Fe s AV5Z
PrimitivesContractions...
149769000.0000000.000000-0.0000000.000000-0.000000-0.000000-0.0000000.000000-0.0000000.0000000.000000
26722500.0000000.000001-0.0000000.000000-0.000000-0.000000-0.0000000.000000-0.0000000.0000000.000000
5959000.0000000.000003-0.0000020.000000-0.000000-0.000000-0.0000000.000000-0.0000000.0000000.000000
1593610.0000000.000015-0.0000080.000002-0.000000-0.000001-0.0000010.000002-0.0000020.0000000.000000
493464.0000000.000059-0.0000310.000007-0.000002-0.000003-0.0000050.000006-0.0000070.0000000.000000
171790.0000000.000201-0.0001040.000024-0.000005-0.000010-0.0000170.000022-0.0000250.0000000.000000
65620.9000000.000615-0.0003180.000073-0.000016-0.000032-0.0000530.000063-0.0000750.0000000.000000
26965.6000000.001731-0.0008950.000206-0.000045-0.000087-0.0001430.000187-0.0002130.0000000.000000
11735.3000000.004569-0.0023680.000545-0.000118-0.000239-0.0003970.000467-0.0005590.0000000.000000
5343.4300000.011398-0.0059370.001373-0.000297-0.000579-0.0009450.001260-0.0014230.0000000.000000
2522.5000000.026868-0.0141450.003293-0.000712-0.001450-0.0024190.002794-0.0033750.0000000.000000
1226.4300000.059108-0.0317840.007521-0.001628-0.003151-0.0051350.006993-0.0078380.0000000.000000
611.2690000.117843-0.0660460.016047-0.003473-0.007133-0.0119520.013473-0.0165420.0000000.000000
311.3080000.201376-0.1222700.031303-0.006786-0.012991-0.0210940.029963-0.0331940.0000000.000000
161.6240000.266077-0.1886920.052529-0.011404-0.023998-0.0407580.043041-0.0553310.0000000.000000
85.3767000.225986-0.2090970.066053-0.014420-0.026065-0.0413710.071140-0.0743170.0000000.000000
45.7911000.098939-0.0969890.032494-0.007112-0.020372-0.0387340.009911-0.0357630.0000000.000000
24.8677000.0493260.173192-0.0847680.0187520.0501570.093456-0.0363580.0955530.0000000.000000
13.6202000.0860440.462477-0.2950180.0680010.1171970.192200-0.4435730.4920460.0000000.000000
7.4810600.0732250.399834-0.3709550.0889750.2376380.489803-0.5159651.2092390.0000000.000000
4.0881700.0211740.115241-0.0346480.005376-0.072874-0.2420890.327652-2.5331060.0000000.000000
2.1990500.0016230.0084090.446249-0.126246-0.249589-0.8764622.900363-2.3277190.0000000.000000
1.1481500.000001-0.0012970.571759-0.204778-0.731722-1.074452-2.8382238.1954170.0000000.000000
0.577265-0.000060-0.0007550.234868-0.1813370.2562432.351773-1.043059-7.2448810.0000000.000000
0.197635-0.000001-0.0000690.0150620.0892681.3560610.5240434.5316653.1292460.0000000.000000
0.1089860.0000100.000088-0.0034370.4152350.058741-2.251726-3.2699621.1613620.0000000.000000
0.0532160.0000090.0000330.0032540.498048-0.5623920.269589-1.026061-3.8758240.0000000.000000
0.0255710.0000040.0000220.0001350.159834-0.5746200.9368301.4622032.0596131.0000000.000000
0.0122900.0000000.0000000.0000000.0000000.0000000.0000000.0000000.0000000.0000001.000000
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)