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Created February 11, 2015 14:31
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CO.out
-----------------------------------------------------------------------
PSI4: An Open-Source Ab Initio Electronic Structure Package
PSI 4.0.0-beta5 Driver
J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein,
F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke,
M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl,
W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill,
and T. D. Crawford, WIREs Comput. Mol. Sci., (2011) (doi: 10.1002/wcms.93)
Additional Contributions by
A. E. DePrince, M. Saitow, U. Bozkaya, A. Yu. Sokolov
-----------------------------------------------------------------------
Process ID: 8351
PSI4DATADIR: /home/opt/easybuild/software/PSI/4.0b5-ictce-7.1.2-mt/share/psi
Using LocalCommunicator (Number of processes = 1)
Memory level set to 256.000 MB
==> Input File <==
--------------------------------------------------------------------------
molecule CO
{
C
O 1 1.14
units au
}
set {
basis sto-3g
}
plugin_load("./sointegrals.so")
set sointegrals {
print 10
}
plugin("sointegrals.so")
--------------------------------------------------------------------------
Input file to run:
from psi4 import *
from p4const import *
from p4util import *
from molutil import *
from driver import *
from wrappers import *
from gaussian_n import *
from aliases import *
from functional import *
from qmmm import *
psi4_io = psi4.IOManager.shared_object()
geometry("""
0 1
H
H 1 0.74
""","blank_molecule_psi4_yo")
CO = geometry("""
C
O 1 1.14
units au
""","CO")
psi4.IO.set_default_namespace("CO")
psi4.set_global_option("basis", "sto-3g")
plugin_load("./sointegrals.so")
psi4.set_local_option("SOINTEGRALS", "print", 10)
plugin("sointegrals.so")
./sointegrals.so loaded.
Reading options from the SOINTEGRALS block
Calling plugin sointegrals.so.
Molecular point group: c2v
Full point group: C_inf_v
Geometry (in Bohr), charge = 0, multiplicity = 1:
Center X Y Z
------------ ----------------- ----------------- -----------------
C 0.000000000000 0.000000000000 -0.651339820610
O 0.000000000000 0.000000000000 0.488660179390
## Overlap (Symmetry 0) ##
Irrep: 1 Size: 6 x 6
1 2 3 4 5
1 1.0000000 0.2483624 -0.0000000 0.0129062 0.2044557
2 0.2483624 1.0000000 0.0000000 0.1267433 0.7454835
3 -0.0000000 0.0000000 1.0000000 0.2065804 0.5697035
4 0.0129062 0.1267433 0.2065804 1.0000000 0.2367039
5 0.2044557 0.7454835 0.5697035 0.2367039 1.0000000
6 -0.3226389 -0.3751863 0.1108655 0.0000000 0.0000000
6
1 -0.3226389
2 -0.3751863
3 0.1108655
4 0.0000000
5 0.0000000
6 1.0000000
Irrep: 2 Size: 0 x 0
(empty)
Irrep: 3 Size: 2 x 2
1 2
1 1.0000000 0.6106820
2 0.6106820 1.0000000
Irrep: 4 Size: 2 x 2
1 2
1 1.0000000 0.6106820
2 0.6106820 1.0000000
## Kinetic (Symmetry 0) ##
Irrep: 1 Size: 6 x 6
1 2 3 4 5
1 15.8911217 -0.0858900 -0.0000000 -0.1335375 0.1600870
2 -0.0858900 0.4722500 0.0000000 0.1093875 0.3456296
3 -0.0000000 0.0000000 1.4777281 0.3193742 0.6360923
4 -0.1335375 0.1093875 0.3193742 29.0031999 -0.1680109
5 0.1600870 0.3456296 0.6360923 -0.1680109 0.8081280
6 -0.5954025 -0.3725412 -0.4012684 -0.0000000 0.0000000
6
1 -0.5954025
2 -0.3725412
3 -0.4012684
4 -0.0000000
5 0.0000000
6 2.5287312
Irrep: 2 Size: 0 x 0
(empty)
Irrep: 3 Size: 2 x 2
1 2
1 1.4777281 0.7492543
2 0.7492543 2.5287312
Irrep: 4 Size: 2 x 2
1 2
1 1.4777281 0.7492543
2 0.7492543 2.5287312
## Potential (Symmetry 0) ##
Irrep: 1 Size: 6 x 6
1 2 3 4 5
1 -40.6702595 -5.9331301 -0.4388537 -0.3992350 -5.2883469
2 -5.9331301 -10.7800807 -2.3449658 -4.7530851 -9.6842277
3 -0.4388537 -2.3449658 -11.9727580 -7.8574246 -8.6639343
4 -0.3992350 -4.7530851 -7.8574246 -65.8816128 -8.4288718
5 -5.2883469 -9.6842277 -8.6639343 -8.4288718 -13.7865989
6 8.5958715 5.6576752 0.6415110 0.2344647 1.9692561
6
1 8.5958715
2 5.6576752
3 0.6415110
4 0.2344647
5 1.9692561
6 -14.7647282
Irrep: 2 Size: 0 x 0
(empty)
Irrep: 3 Size: 2 x 2
1 2
1 -10.1070616 -6.9596439
2 -6.9596439 -13.1876481
Irrep: 4 Size: 2 x 2
1 2
1 -10.1070616 -6.9596439
2 -6.9596439 -13.1876481
## One Electron Ints (Symmetry 0) ##
Irrep: 1 Size: 6 x 6
1 2 3 4 5
1 -24.7791378 -6.0190201 -0.4388537 -0.5327726 -5.1282598
2 -6.0190201 -10.3078307 -2.3449658 -4.6436976 -9.3385981
3 -0.4388537 -2.3449658 -10.4950300 -7.5380504 -8.0278420
4 -0.5327726 -4.6436976 -7.5380504 -36.8784128 -8.5968827
5 -5.1282598 -9.3385981 -8.0278420 -8.5968827 -12.9784710
6 8.0004690 5.2851340 0.2402426 0.2344647 1.9692561
6
1 8.0004690
2 5.2851340
3 0.2402426
4 0.2344647
5 1.9692561
6 -12.2359970
Irrep: 2 Size: 0 x 0
(empty)
Irrep: 3 Size: 2 x 2
1 2
1 -8.6293335 -6.2103896
2 -6.2103896 -10.6589169
Irrep: 4 Size: 2 x 2
1 2
1 -8.6293335 -6.2103896
2 -6.2103896 -10.6589169
( 0 0 | 0 0) = 3.5419481332
( 1 0 | 0 0) = 0.5769212864
( 1 1 | 0 0) = 0.8546817630
( 1 0 | 1 0) = 0.1118881151
( 1 1 | 1 0) = 0.2052838627
( 1 1 | 1 1) = 0.6247087997
( 2 2 | 0 0) = 0.8524360781
( 6 6 | 0 0) = 0.8524360781
( 8 8 | 0 0) = 0.8524360781
( 2 0 | 2 0) = 0.0202964647
( 6 0 | 6 0) = 0.0202964647
( 8 0 | 8 0) = 0.0202964647
( 2 2 | 1 0) = 0.2053350787
( 6 6 | 1 0) = 0.2053350787
( 8 8 | 1 0) = 0.2053350787
( 2 1 | 2 0) = 0.0308577485
( 6 1 | 6 0) = 0.0308577485
( 8 1 | 8 0) = 0.0308577485
( 2 2 | 1 1) = 0.6245683716
( 6 6 | 1 1) = 0.6245683716
( 8 8 | 1 1) = 0.6245683716
( 2 1 | 2 1) = 0.1379962761
( 6 1 | 6 1) = 0.1379962761
( 8 1 | 8 1) = 0.1379962761
( 2 2 | 2 2) = 0.6728327205
( 6 2 | 6 2) = 0.0362686414
( 6 6 | 2 2) = 0.6002954377
( 6 6 | 6 6) = 0.6728327205
( 8 2 | 8 2) = 0.0362686414
( 8 6 | 8 6) = 0.0362686414
( 8 8 | 2 2) = 0.6002954377
( 8 8 | 6 6) = 0.6002954377
( 8 8 | 8 8) = 0.6728327205
( 3 0 | 0 0) = 0.0173020713
( 3 1 | 0 0) = 0.1153568277
( 3 0 | 1 0) = 0.0040236708
( 3 1 | 1 0) = 0.0284211034
( 3 0 | 1 1) = 0.0099704775
( 3 1 | 1 1) = 0.0881382775
( 3 2 | 0 0) = 0.1873777453
( 3 0 | 2 0) = 0.0011937125
( 3 2 | 1 0) = 0.0461776680
( 3 1 | 2 0) = 0.0071253601
( 3 0 | 2 1) = 0.0033575125
( 3 2 | 1 1) = 0.1434557210
( 3 1 | 2 1) = 0.0344170595
( 3 2 | 2 0) = 0.0116055134
( 6 3 | 6 0) = 0.0006339782
( 8 3 | 8 0) = 0.0006339782
( 3 0 | 2 2) = 0.0114003646
( 6 6 | 3 0) = 0.0092603480
( 8 8 | 3 0) = 0.0092603480
( 3 2 | 2 1) = 0.0562541226
( 6 3 | 6 1) = 0.0027132948
( 8 3 | 8 1) = 0.0027132948
( 3 1 | 2 2) = 0.1045036831
( 6 6 | 3 1) = 0.0798252695
( 8 8 | 3 1) = 0.0798252695
( 3 2 | 2 2) = 0.1703948539
( 6 6 | 3 2) = 0.1297745682
( 8 8 | 3 2) = 0.1297745682
( 6 3 | 6 2) = 0.0018650611
( 8 3 | 8 2) = 0.0018650611
( 3 3 | 0 0) = 0.8771613220
( 3 0 | 3 0) = 0.0004280434
( 3 3 | 1 0) = 0.2173633860
( 3 1 | 3 0) = 0.0035981816
( 3 3 | 1 1) = 0.6943341459
( 3 1 | 3 1) = 0.0411212912
( 3 3 | 2 0) = 0.0544401747
( 3 2 | 3 0) = 0.0058965329
( 3 3 | 2 1) = 0.2856567653
( 3 2 | 3 1) = 0.0676738817
( 3 3 | 2 2) = 0.8405587963
( 6 6 | 3 3) = 0.6197311872
( 8 8 | 3 3) = 0.6197311872
( 3 2 | 3 2) = 0.1113974884
( 6 3 | 6 3) = 0.0006841896
( 8 3 | 8 3) = 0.0006841896
( 3 3 | 3 0) = 0.0322700533
( 3 3 | 3 1) = 0.4112674524
( 3 3 | 3 2) = 0.6795791607
( 3 3 | 3 3) = 4.7850654047
( 4 0 | 0 0) = 0.4969590916
( 4 1 | 0 0) = 0.6451910817
( 4 0 | 1 0) = 0.0946686594
( 4 1 | 1 0) = 0.1543831438
( 4 0 | 1 1) = 0.1696537177
( 4 1 | 1 1) = 0.4679030729
( 4 2 | 0 0) = 0.4277605704
( 4 0 | 2 0) = 0.0058644453
( 4 2 | 1 0) = 0.1043853797
( 4 1 | 2 0) = 0.0142637430
( 4 0 | 2 1) = 0.0099870991
( 4 2 | 1 1) = 0.3384627828
( 4 1 | 2 1) = 0.0757455043
( 4 2 | 2 0) = 0.0278734641
( 6 4 | 6 0) = 0.0209108263
( 8 4 | 8 0) = 0.0209108263
( 4 0 | 2 2) = 0.1705012032
( 6 6 | 4 0) = 0.1692416987
( 8 8 | 4 0) = 0.1692416987
( 4 2 | 2 1) = 0.1320083699
( 6 4 | 6 1) = 0.0889910173
( 8 4 | 8 1) = 0.0889910173
( 4 1 | 2 2) = 0.4804575593
( 6 6 | 4 1) = 0.4614849802
( 8 8 | 4 1) = 0.4614849802
( 4 2 | 2 2) = 0.3684161157
( 6 6 | 4 2) = 0.3233384694
( 8 8 | 4 2) = 0.3233384694
( 6 4 | 6 2) = 0.0183700615
( 8 4 | 8 2) = 0.0183700615
( 4 3 | 0 0) = 0.2075285193
( 4 0 | 3 0) = 0.0037551865
( 4 3 | 1 0) = 0.0512095764
( 4 1 | 3 0) = 0.0094359466
( 4 0 | 3 1) = 0.0260545251
( 4 3 | 1 1) = 0.1618664933
( 4 1 | 3 1) = 0.0888556679
( 4 3 | 2 0) = 0.0124916455
( 4 2 | 3 0) = 0.0091308701
( 4 0 | 3 2) = 0.0423448926
( 4 3 | 2 1) = 0.0635281241
( 4 2 | 3 1) = 0.0915807560
( 4 1 | 3 2) = 0.1448626758
( 4 3 | 2 2) = 0.1922253109
( 6 6 | 4 3) = 0.1464527691
( 8 8 | 4 3) = 0.1464527691
( 4 2 | 3 2) = 0.1495826961
( 6 4 | 6 3) = 0.0030288139
( 8 4 | 8 3) = 0.0030288139
( 4 3 | 3 0) = 0.0063844190
( 4 0 | 3 3) = 0.1993776507
( 4 3 | 3 1) = 0.0747986677
( 4 1 | 3 3) = 0.7120397185
( 4 3 | 3 2) = 0.1231168417
( 4 2 | 3 3) = 0.7486750931
( 4 3 | 3 3) = 0.7413803520
( 4 4 | 0 0) = 0.7798151256
( 4 0 | 4 0) = 0.0820047713
( 4 4 | 1 0) = 0.1881309855
( 4 1 | 4 0) = 0.1324777096
( 4 4 | 1 1) = 0.5985516292
( 4 1 | 4 1) = 0.3970150403
( 4 4 | 2 0) = 0.0273243708
( 4 2 | 4 0) = 0.0955732610
( 4 4 | 2 1) = 0.1560979157
( 4 2 | 4 1) = 0.3359146952
( 4 4 | 2 2) = 0.6409564511
( 6 6 | 4 4) = 0.5771278434
( 8 8 | 4 4) = 0.5771278434
( 4 2 | 4 2) = 0.3337305179
( 6 4 | 6 4) = 0.0680908949
( 8 4 | 8 4) = 0.0680908949
( 4 4 | 3 0) = 0.0135760466
( 4 3 | 4 0) = 0.0468174708
( 4 4 | 3 1) = 0.1377283882
( 4 3 | 4 1) = 0.1640926785
( 4 4 | 3 2) = 0.2249360243
( 4 3 | 4 2) = 0.1698838208
( 4 4 | 3 3) = 1.1189468663
( 4 3 | 4 3) = 0.1368733854
( 4 4 | 4 0) = 0.1648795291
( 4 4 | 4 1) = 0.5513600173
( 4 4 | 4 2) = 0.5119307211
( 4 4 | 4 3) = 0.2566333947
( 4 4 | 4 4) = 0.8172063215
( 5 0 | 0 0) = -0.8155627663
( 5 1 | 0 0) = -0.5346588889
( 5 0 | 1 0) = -0.1535290603
( 5 1 | 1 0) = -0.1232818477
( 5 0 | 1 1) = -0.2692139153
( 5 1 | 1 1) = -0.3044025981
( 5 2 | 0 0) = -0.0689475864
( 7 6 | 0 0) = 0.4787485787
( 9 8 | 0 0) = 0.4787485787
( 5 0 | 2 0) = -0.0084097227
( 7 0 | 6 0) = 0.0067170143
( 9 0 | 8 0) = 0.0067170143
( 5 2 | 1 0) = -0.0144437763
( 7 6 | 1 0) = 0.1167784940
( 9 8 | 1 0) = 0.1167784940
( 5 1 | 2 0) = -0.0061088928
( 7 1 | 6 0) = 0.0164557227
( 9 1 | 8 0) = 0.0164557227
( 5 0 | 2 1) = -0.0130759768
( 7 0 | 6 1) = 0.0117267908
( 9 0 | 8 1) = 0.0117267908
( 5 2 | 1 1) = 0.0080689940
( 7 6 | 1 1) = 0.3731936560
( 9 8 | 1 1) = 0.3731936560
( 5 1 | 2 1) = 0.0018372348
( 7 1 | 6 1) = 0.0841664251
( 9 1 | 8 1) = 0.0841664251
( 5 2 | 2 0) = -0.0216442477
( 7 6 | 2 0) = 0.0106249153
( 9 8 | 2 0) = 0.0106249153
( 6 5 | 6 0) = -0.0242941770
( 7 2 | 6 0) = 0.0106249153
( 8 5 | 8 0) = -0.0242941770
( 9 2 | 8 0) = 0.0106249153
( 5 0 | 2 2) = -0.2702736289
( 6 6 | 5 0) = -0.2686714447
( 8 8 | 5 0) = -0.2686714447
( 7 0 | 6 2) = 0.0021800257
( 9 0 | 8 2) = 0.0021800257
( 5 2 | 2 1) = -0.0375819434
( 7 6 | 2 1) = 0.0598895615
( 9 8 | 2 1) = 0.0598895615
( 6 5 | 6 1) = -0.0792104317
( 7 2 | 6 1) = 0.0598895615
( 8 5 | 8 1) = -0.0792104317
( 9 2 | 8 1) = 0.0598895615
( 5 1 | 2 2) = -0.2922551068
( 6 6 | 5 1) = -0.3105492958
( 8 8 | 5 1) = -0.3105492958
( 7 1 | 6 2) = 0.0266809662
( 9 1 | 8 2) = 0.0266809662
( 5 2 | 2 2) = 0.0184760864
( 6 6 | 5 2) = 0.0027630051
( 8 8 | 5 2) = 0.0027630051
( 6 5 | 6 2) = -0.0042752082
( 8 5 | 8 2) = -0.0042752082
( 7 2 | 6 2) = 0.0370533562
( 7 6 | 2 2) = 0.3729068774
( 7 6 | 6 6) = 0.3918074439
( 8 8 | 7 6) = 0.3545048288
( 8 7 | 8 6) = 0.0186513075
( 9 2 | 8 2) = 0.0370533562
( 9 6 | 8 6) = 0.0186513075
( 9 8 | 2 2) = 0.3729068774
( 9 8 | 6 6) = 0.3545048288
( 9 8 | 8 8) = 0.3918074439
( 5 3 | 0 0) = -0.0389096720
( 5 0 | 3 0) = -0.0059066070
( 5 3 | 1 0) = -0.0091941805
( 5 1 | 3 0) = -0.0057918045
( 5 0 | 3 1) = -0.0404416626
( 5 3 | 1 1) = -0.0127963103
( 5 1 | 3 1) = -0.0392405136
( 5 3 | 2 0) = -0.0040709203
( 7 3 | 6 0) = 0.0023666151
( 9 3 | 8 0) = 0.0023666151
( 5 2 | 3 0) = -0.0022903436
( 7 6 | 3 0) = 0.0068935828
( 9 8 | 3 0) = 0.0068935828
( 5 0 | 3 2) = -0.0657236510
( 7 0 | 6 3) = 0.0004479480
( 9 0 | 8 3) = 0.0004479480
( 5 3 | 2 1) = -0.0026261740
( 7 3 | 6 1) = 0.0120693318
( 9 3 | 8 1) = 0.0120693318
( 5 2 | 3 1) = -0.0054037652
( 7 6 | 3 1) = 0.0645891727
( 9 8 | 3 1) = 0.0645891727
( 5 1 | 3 2) = -0.0634947029
( 7 1 | 6 3) = 0.0042503597
( 9 1 | 8 3) = 0.0042503597
( 5 3 | 2 2) = -0.0126206060
( 6 6 | 5 3) = -0.0128720952
( 8 8 | 5 3) = -0.0128720952
( 7 3 | 6 2) = 0.0087851556
( 9 3 | 8 2) = 0.0087851556
( 5 2 | 3 2) = -0.0083524356
( 7 6 | 3 2) = 0.1051455626
( 9 8 | 3 2) = 0.1051455626
( 6 5 | 6 3) = -0.0017387745
( 7 2 | 6 3) = 0.0053357911
( 8 5 | 8 3) = -0.0017387745
( 9 2 | 8 3) = 0.0053357911
( 5 3 | 3 0) = -0.0013910522
( 5 0 | 3 3) = -0.3086232407
( 5 3 | 3 1) = -0.0021472806
( 5 1 | 3 3) = -0.2934513715
( 5 3 | 3 2) = -0.0031624349
( 7 3 | 6 3) = 0.0039371429
( 9 3 | 8 3) = 0.0039371429
( 5 2 | 3 3) = -0.0261197659
( 7 6 | 3 3) = 0.5088665521
( 9 8 | 3 3) = 0.5088665521
( 5 4 | 0 0) = -0.3123119353
( 5 0 | 4 0) = -0.1328158167
( 5 4 | 1 0) = -0.0686408448
( 5 1 | 4 0) = -0.1042020509
( 5 0 | 4 1) = -0.2088185718
( 5 4 | 1 1) = -0.1090772335
( 5 1 | 4 1) = -0.2191096432
( 5 4 | 2 0) = -0.0095511873
( 7 4 | 6 0) = 0.0177525391
( 9 4 | 8 0) = 0.0177525391
( 5 2 | 4 0) = -0.0190054448
( 7 6 | 4 0) = 0.0998309700
( 9 8 | 4 0) = 0.0998309700
( 5 0 | 4 2) = -0.1486562958
( 7 0 | 6 4) = 0.0089321155
( 9 0 | 8 4) = 0.0089321155
( 5 4 | 2 1) = 0.0186046547
( 7 4 | 6 1) = 0.0975940879
( 9 4 | 8 1) = 0.0975940879
( 5 2 | 4 1) = -0.0032588190
( 7 6 | 4 1) = 0.3130374315
( 9 8 | 4 1) = 0.3130374315
( 5 1 | 4 2) = -0.1430888484
( 7 1 | 6 4) = 0.0706225930
( 9 1 | 8 4) = 0.0706225930
( 5 4 | 2 2) = -0.0845993591
( 6 6 | 5 4) = -0.1214346748
( 8 8 | 5 4) = -0.1214346748
( 7 4 | 6 2) = 0.0458561493
( 9 4 | 8 2) = 0.0458561493
( 5 2 | 4 2) = -0.0088433527
( 7 6 | 4 2) = 0.2604603730
( 9 8 | 4 2) = 0.2604603730
( 6 5 | 6 4) = -0.0526115493
( 7 2 | 6 4) = 0.0622218811
( 8 5 | 8 4) = -0.0526115493
( 9 2 | 8 4) = 0.0622218811
( 5 4 | 3 0) = -0.0030625032
( 5 3 | 4 0) = -0.0090757105
( 5 0 | 4 3) = -0.0726315884
( 5 4 | 3 1) = -0.0038497138
( 5 3 | 4 1) = -0.0077762725
( 5 1 | 4 3) = -0.0688044946
( 5 4 | 3 2) = -0.0054043119
( 7 4 | 6 3) = 0.0072036424
( 9 4 | 8 3) = 0.0072036424
( 5 3 | 4 2) = -0.0034198416
( 7 3 | 6 4) = 0.0141145252
( 9 3 | 8 4) = 0.0141145252
( 5 2 | 4 3) = -0.0052108327
( 7 6 | 4 3) = 0.1192463930
( 9 8 | 4 3) = 0.1192463930
( 5 4 | 4 0) = -0.0602191232
( 5 0 | 4 4) = -0.2584182430
( 5 4 | 4 1) = -0.0535984084
( 5 1 | 4 4) = -0.2507614273
( 5 4 | 4 2) = -0.0004600465
( 7 4 | 6 4) = 0.0933133574
( 9 4 | 8 4) = 0.0933133574
( 5 2 | 4 4) = 0.0158431468
( 7 6 | 4 4) = 0.4279258766
( 9 8 | 4 4) = 0.4279258766
( 5 5 | 0 0) = 0.9369917377
( 7 7 | 0 0) = 0.7008444999
( 9 9 | 0 0) = 0.7008444999
( 5 0 | 5 0) = 0.2154300763
( 7 0 | 7 0) = 0.0025938197
( 9 0 | 9 0) = 0.0025938197
( 5 5 | 1 0) = 0.2181962056
( 7 7 | 1 0) = 0.1729978574
( 9 9 | 1 0) = 0.1729978574
( 5 1 | 5 0) = 0.1660535199
( 7 1 | 7 0) = 0.0078785784
( 9 1 | 9 0) = 0.0078785784
( 5 5 | 1 1) = 0.6168982820
( 7 7 | 1 1) = 0.5890737429
( 9 9 | 1 1) = 0.5890737429
( 5 1 | 5 1) = 0.1881387095
( 7 1 | 7 1) = 0.0794291542
( 9 1 | 9 1) = 0.0794291542
( 5 5 | 2 0) = 0.0299422723
( 7 7 | 2 0) = 0.0259143872
( 9 9 | 2 0) = 0.0259143872
( 7 5 | 6 0) = -0.0119188608
( 9 5 | 8 0) = -0.0119188608
( 5 2 | 5 0) = 0.0293485373
( 7 6 | 5 0) = -0.1569916182
( 9 8 | 5 0) = -0.1569916182
( 7 0 | 6 5) = -0.0095869433
( 7 2 | 7 0) = 0.0064440818
( 9 0 | 8 5) = -0.0095869433
( 9 2 | 9 0) = 0.0064440818
( 5 5 | 2 1) = 0.1372417891
( 7 7 | 2 1) = 0.1655349554
( 9 9 | 2 1) = 0.1655349554
( 7 5 | 6 1) = -0.0336422333
( 9 5 | 8 1) = -0.0336422333
( 5 2 | 5 1) = 0.0433880851
( 7 6 | 5 1) = -0.1754228619
( 9 8 | 5 1) = -0.1754228619
( 7 1 | 6 5) = -0.0465153893
( 7 2 | 7 1) = 0.0779467866
( 9 1 | 8 5) = -0.0465153893
( 9 2 | 9 1) = 0.0779467866
( 5 5 | 2 2) = 0.6599410222
( 6 6 | 5 5) = 0.5955532690
( 8 8 | 5 5) = 0.5955532690
( 7 5 | 6 2) = -0.0047782141
( 7 7 | 2 2) = 0.6312193670
( 7 7 | 6 6) = 0.5871539221
( 8 8 | 7 7) = 0.5480028561
( 9 5 | 8 2) = -0.0047782141
( 9 7 | 8 6) = 0.0195755330
( 9 9 | 2 2) = 0.6312193670
( 9 9 | 6 6) = 0.5480028561
( 9 9 | 8 8) = 0.5871539221
( 5 2 | 5 2) = 0.0768218894
( 6 5 | 6 5) = 0.0543729594
( 8 5 | 8 5) = 0.0543729594
( 7 2 | 6 5) = -0.0313599803
( 7 2 | 7 2) = 0.0879983783
( 7 6 | 5 2) = -0.0052529386
( 7 6 | 7 6) = 0.2661744426
( 8 7 | 8 7) = 0.0142354851
( 9 2 | 8 5) = -0.0313599803
( 9 2 | 9 2) = 0.0879983783
( 9 6 | 8 7) = 0.0142354851
( 9 6 | 9 6) = 0.0142354851
( 9 8 | 5 2) = -0.0052529386
( 9 8 | 7 6) = 0.2377034725
( 9 8 | 9 8) = 0.2661744426
( 5 5 | 3 0) = 0.0144863934
( 7 7 | 3 0) = 0.0131298937
( 9 9 | 3 0) = 0.0131298937
( 5 3 | 5 0) = 0.0143254066
( 7 3 | 7 0) = 0.0017775746
( 9 3 | 9 0) = 0.0017775746
( 5 5 | 3 1) = 0.1377972840
( 7 7 | 3 1) = 0.1376932064
( 9 9 | 3 1) = 0.1376932064
( 5 3 | 5 1) = 0.0229788353
( 7 3 | 7 1) = 0.0212962530
( 9 3 | 9 1) = 0.0212962530
( 5 5 | 3 2) = 0.2253073495
( 7 7 | 3 2) = 0.2247416915
( 9 9 | 3 2) = 0.2247416915
( 7 5 | 6 3) = -0.0008106784
( 9 5 | 8 3) = -0.0008106784
( 5 3 | 5 2) = 0.0256930056
( 7 6 | 5 3) = -0.0065615174
( 9 8 | 5 3) = -0.0065615174
( 7 3 | 6 5) = -0.0065615174
( 7 3 | 7 2) = 0.0276956388
( 9 3 | 8 5) = -0.0065615174
( 9 3 | 9 2) = 0.0276956388
( 5 5 | 3 3) = 1.1158138122
( 7 7 | 3 3) = 1.1158138122
( 9 9 | 3 3) = 1.1158138122
( 5 3 | 5 3) = 0.0244774123
( 7 3 | 7 3) = 0.0244774123
( 9 3 | 9 3) = 0.0244774123
( 5 5 | 4 0) = 0.1910583438
( 7 7 | 4 0) = 0.1516800653
( 9 9 | 4 0) = 0.1516800653
( 5 4 | 5 0) = 0.0964865704
( 7 4 | 7 0) = 0.0094673832
( 9 4 | 9 0) = 0.0094673832
( 5 5 | 4 1) = 0.5555152735
( 7 7 | 4 1) = 0.5490628020
( 9 9 | 4 1) = 0.5490628020
( 5 4 | 5 1) = 0.1297591749
( 7 4 | 7 1) = 0.1141389392
( 9 4 | 9 1) = 0.1141389392
( 5 5 | 4 2) = 0.5034685116
( 7 7 | 4 2) = 0.5160387214
( 9 9 | 4 2) = 0.5160387214
( 7 5 | 6 4) = -0.0212912270
( 9 5 | 8 4) = -0.0212912270
( 5 4 | 5 2) = 0.0935398961
( 7 6 | 5 4) = -0.0491415274
( 9 8 | 5 4) = -0.0491415274
( 7 4 | 6 5) = -0.0491415274
( 7 4 | 7 2) = 0.1246335938
( 9 4 | 8 5) = -0.0491415274
( 9 4 | 9 2) = 0.1246335938
( 5 5 | 4 3) = 0.2566839858
( 7 7 | 4 3) = 0.2566839858
( 9 9 | 4 3) = 0.2566839858
( 5 4 | 5 3) = 0.0378086074
( 7 4 | 7 3) = 0.0378086074
( 9 4 | 9 3) = 0.0378086074
( 5 5 | 4 4) = 0.8170226053
( 7 7 | 4 4) = 0.8170226053
( 9 9 | 4 4) = 0.8170226053
( 5 4 | 5 4) = 0.1805183921
( 7 4 | 7 4) = 0.1805183921
( 9 4 | 9 4) = 0.1805183921
( 5 5 | 5 0) = -0.3016235312
( 7 7 | 5 0) = -0.2366457321
( 9 9 | 5 0) = -0.2366457321
( 7 5 | 7 0) = -0.0056551984
( 9 5 | 9 0) = -0.0056551984
( 5 5 | 5 1) = -0.2686644241
( 7 7 | 5 1) = -0.2416799896
( 9 9 | 5 1) = -0.2416799896
( 7 5 | 7 1) = -0.0140107359
( 9 5 | 9 1) = -0.0140107359
( 5 5 | 5 2) = 0.0199514589
( 7 6 | 5 5) = 0.4209367369
( 9 8 | 5 5) = 0.4209367369
( 7 5 | 6 5) = 0.0336948823
( 7 5 | 7 2) = -0.0031993807
( 7 7 | 5 2) = 0.0137631277
( 7 7 | 7 6) = 0.4531722238
( 9 8 | 7 7) = 0.4092186443
( 9 5 | 8 5) = 0.0336948823
( 9 5 | 9 2) = -0.0031993807
( 9 7 | 8 7) = 0.0219767898
( 9 7 | 9 6) = 0.0219767898
( 9 9 | 5 2) = 0.0137631277
( 9 9 | 7 6) = 0.4092186443
( 9 9 | 9 8) = 0.4531722238
( 5 5 | 5 5) = 0.8801590934
( 7 5 | 7 5) = 0.0474444451
( 7 7 | 5 5) = 0.7852702031
( 7 7 | 7 7) = 0.8801590934
( 9 5 | 9 5) = 0.0474444451
( 9 7 | 9 7) = 0.0474444451
( 9 9 | 5 5) = 0.7852702031
( 9 9 | 7 7) = 0.7852702031
( 9 9 | 9 9) = 0.8801590934
*** PSI4 exiting successfully. Buy a developer a beer!
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