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&GLOBAL
PROJECT test_shg_integrals_abx
PRINT_LEVEL MEDIUM
PROGRAM_NAME TEST
RUN_TYPE NONE
&END GLOBAL
&TEST
&SHG_INTEGRALS_TEST
ABC 5.0 5.0 5.0
NAB_MIN 4
NREP 1
CHECK_ACCURACY
CALCULATE_DERIVATIVES
TEST_OVERLAP_ABA
TEST_OVERLAP_ABB
&BASIS
1
2 0 1 7 2 1
11.478000339908 0.024916243200 -0.012512421400 0.024510918200
3.700758562763 0.079825490000 -0.056449071100 0.058140794100
1.446884268432 0.128862675300 0.011242684700 0.444709498500
0.716814589696 0.379448894600 -0.418587548300 0.646207973100
0.247918564176 0.324552432600 0.590363216700 0.803385018200
0.066918004004 0.037148121400 0.438703133000 0.892971208700
0.021708243634 -0.001125195500 -0.059693171300 0.120101316500
&END
&BASIS
1
2 0 2 7 2 2 1
12.015954705512 -0.060190841200 0.065738617900 0.036543638800 -0.034210557400 0.014807054400
5.108150287385 -0.129597923300 0.110885902200 0.120927648700 -0.120619770900 0.068186159300
2.048398039874 0.118175889400 -0.053732406400 0.251093670300 -0.213719464600 0.290576499200
0.832381575582 0.462964485000 -0.572670666200 0.352639910300 -0.473674858400 1.063344189500
0.352316246455 0.450353782600 0.186760006700 0.294708645200 0.484848376400 0.307656114200
0.142977330880 0.092715833600 0.387201458600 0.173039869300 0.717465919700 0.318346834400
0.046760918300 -0.000255945800 0.003825849600 0.009726110600 0.032498979400 -0.005771736600
&END
&BASIS
15
2 0 0 1 1
24.031909411024 1.0
2 0 0 1 1
16.167926705922 1.0
2 0 1 1 1 1
10.877281929506 1.0 1.0
2 0 1 1 1 1
7.317899463920 1.0 1.0
2 0 2 1 1 1 1
4.923256831173 1.0 1.0 1.0
2 0 3 1 1 1 1 1
3.312215198528 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
2.228356126354 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
1.499169204968 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
1.008594756710 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.678551413605 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.456508441910 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.307124785767 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.206624073890 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.139010297734 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.093521836600 1.0 1.0 1.0 1.0 1.0
&END
&END SHG_INTEGRALS_TEST
&END TEST
|
