multi1.log

D2h symmetry:
       ag  b1g  b2g  b3g   au  b1u  b2u  b3u
ag    ag  b1g  b2g  b3g   au  b1u  b2u  b3u
b1g  b1g   ag  b3g  b2g  b1u   au  b3u  b2u
b2g  b2g  b3g   ag  b1g  b2u  b3u   au  b1u
b3g  b3g  b2g  b1g   ag  b3u  b2u  b1u   au
au    au  b1u  b2u  b3u   ag  b1g  b2g  b3g
b1u  b1u   au  b3u  b2u  b1g   ag  b3g  b2g
b2u  b2u  b3u   au  b1u  b2g  b3g   ag  b1g
b3u  b3u  b2u  b1u   au  b3g  b2g  b1g   ag

########################################
### distance is now 1.000000 angstrom ###
########################################
HF energy: -15.455667773102817 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.532      2.000
1  -0.513      2.000
2  -0.492      2.000
3   0.194      0.000
4   0.194      0.000
5   0.607      0.000
6   1.522      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.4556677731
 qulacs          = -15.4556677731
 hf_ene_from_mat = -15.4556677731


=== Electronic Configuration: 0 ===

Energy: -15.481423055253718 [Eh]
|Psi> = (  0.0024396825) |000100110010>
      + (  0.0024396825) |000111000010>
      + (  0.0014435429) |001000001101>
      + (  0.0171437593) |001100000011>
      + (  0.0415557850) |001100001100>
      + (  0.0620610210) |001100110000>
      + (  0.0620610210) |001111000000>
      + (  0.0007431214) |010000001011>
      + (  0.0303423111) |011000001001>
      + (  0.0101123812) |011100001000>
      + (  0.0059499484) |100000110100>
      + (  0.0059499484) |100011000100>
      + (  0.0303423111) |100100000110>
      + (  0.0233130389) |110000000011>
      + (  0.0600181298) |110000001100>
      + (  0.0047178951) |110000110000>
      + (  0.0047178951) |110011000000>
      + (  0.0029820159) |111000000001>
total probability = 0.015951931448988245


=== CASCI Result ===

CASCI E = -15.4814230552537  E(CI) = -4.42375665839875  S^2 = 0.0000000
CASCI energy = -15.481423055253671
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 8], [1, 9], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 8, 10], [0, 3, 8, 11], [0, 3, 9, 10], [1, 2, 8, 11], [1, 2, 9, 10], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.481168
         Iterations: 34
         Function evaluations: 1007
         Gradient evaluations: 53
energy history [Eh]: [-15.455667773101652, -15.477804470764914, -15.480446467761986, -15.480962766529048, -15.481150444568721, -15.4811663519738, -15.481168185795646, -15.481168452343244, -15.4811684657239, -15.481168471520526, -15.481168473096332, -15.481168473479254, -15.481168473526996, -15.481168473552293, -15.481168473569381, -15.481168473574147, -15.48116847357776, -15.481168473578725, -15.481168473579856, -15.481168473581361, -15.481168473584521, -15.481168473584905, -15.481168473584939, -15.481168473585162, -15.481168473585406, -15.48116847358752, -15.481168473588365, -15.481168473588403, -15.481168473588484, -15.48116847358854, -15.48116847358856, -15.48116847358862, -15.481168473588685, -15.481168473588703, -15.481168473588703]
VQE energy [Eh]: -15.481168473588703
VQE parameter: [ 0.00965842  0.00965775 -0.00303303 -0.00303316  0.06032218  0.06042943
  0.04211834  0.01756141  0.00166382  0.03044719 -0.02877181 -0.02877198
  0.03044719  0.00166337  0.00615068  0.00615064  0.05940165  0.02356308]

########################################
### distance is now 1.326400 angstrom ###
########################################
HF energy: -15.560312342811828 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.519      2.000
1  -0.458      2.000
2  -0.422      2.000
3   0.212      0.000
4   0.212      0.000
5   0.464      0.000
6   0.950      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.5603123428
 qulacs          = -15.5603123428
 hf_ene_from_mat = -15.5603123428


=== Electronic Configuration: 0 ===

Energy: -15.594837958783675 [Eh]
|Psi> = (  0.0089533539) |000000001111>
      + (  0.0014784042) |000000110011>
      + (  0.0056610767) |000000111100>
      + (  0.0014784042) |000011000011>
      + (  0.0056610767) |000011001100>
      + (  0.0012157659) |000011110000>
      + (  0.0023981770) |000100001110>
      + (  0.0044820929) |001000110001>
      + (  0.0044820929) |001011000001>
      + (  0.0068801478) |010000111000>
      + (  0.0068801478) |010011001000>
      + (  0.0066055173) |010100001010>
      + (  0.0422590131) |011000000110>
      + (  0.0018874608) |100000000111>
      + (  0.0422590131) |100100001001>
      + (  0.0066055173) |101000000101>
      + (  0.0113050627) |101100000100>
      + (  0.0002876331) |110000110000>
      + (  0.0002876331) |110011000000>
      + (  0.0039588250) |110100000010>
      + (  0.9861036065) |111100000000>
total probability = 0.9764971516312785


=== CASCI Result ===

CASCI E = -15.5948379587837  E(CI) = -3.95071824617336  S^2 = 0.0000000
CASCI energy = -15.59483795878371
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 8], [1, 9], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 8, 10], [0, 3, 8, 11], [0, 3, 9, 10], [1, 2, 8, 11], [1, 2, 9, 10], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.594470
         Iterations: 31
         Function evaluations: 1330
         Gradient evaluations: 70
energy history [Eh]: [-15.560312342810553, -15.59253697756986, -15.594135389776742, -15.594379708246342, -15.594467617467163, -15.594469758706909, -15.594469876268555, -15.594469885832257, -15.594469886711162, -15.594469886779244, -15.594469886790286, -15.594469886792202, -15.594469886792595, -15.594469886792803, -15.594469886793068, -15.594469886793519, -15.594469886797054, -15.594469886800521, -15.59446988680086, -15.59446988680095, -15.594469886801098, -15.594469886801386, -15.594469886801487, -15.594469886801635, -15.594469886801694, -15.594469886801864, -15.594469886802043, -15.594469886802354, -15.594469886802617, -15.594469886802885, -15.594469886803065, -15.594469886803065]
VQE energy [Eh]: -15.594469886803065
VQE parameter: [ 0.01043236  0.01042709 -0.00398768 -0.00398593  0.05409104  0.05416898
  0.05873716  0.02863574  0.00646102  0.04902411 -0.04252592 -0.04252598
  0.04902366  0.00646135  0.00201487  0.00201434  0.07849327  0.04105436]

########################################
### distance is now 1.500000 angstrom ###
########################################
HF energy: -15.532213327051139 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.529      2.000
1  -0.429      2.000
2  -0.388      2.000
3   0.214      0.000
4   0.214      0.000
5   0.384      0.000
6   0.761      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.5322133271
 qulacs          = -15.5322133271
 hf_ene_from_mat = -15.5322133271


=== Electronic Configuration: 0 ===

Energy: -15.575705605214125 [Eh]
|Psi> = (  0.0061633542) |000100110010>
      + (  0.0061633542) |000111000010>
      + (  0.0036277391) |001000001101>
      + (  0.0349852601) |001100000011>
      + (  0.0698916687) |001100001100>
      + (  0.0566445816) |001100110000>
      + (  0.0566445816) |001111000000>
      + (  0.0032578474) |010000001011>
      + (  0.0627203573) |011000001001>
      + (  0.0134341320) |011100001000>
      + (  0.0084716565) |100000110100>
      + (  0.0084716565) |100011000100>
      + (  0.0627203573) |100100000110>
      + (  0.0515639614) |110000000011>
      + (  0.1001695734) |110000001100>
      + (  0.0048388813) |111000000001>
total probability = 0.03353367955407453


=== CASCI Result ===

CASCI E = -15.5757056052142  E(CI) = -3.72359420577274  S^2 = 0.0000000
CASCI energy = -15.575705605214162
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 8], [1, 9], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 8, 10], [0, 3, 8, 11], [0, 3, 9, 10], [1, 2, 8, 11], [1, 2, 9, 10], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Divide-by-zero encountered: rhok assumed large
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.575145
         Iterations: 39
         Function evaluations: 1045
         Gradient evaluations: 55
energy history [Eh]: [-15.53221332704989, -15.57327054286565, -15.574828909398835, -15.575060454395917, -15.57514260278904, -15.57514310490032, -15.575143934735872, -15.575144572572496, -15.575144659434036, -15.57514470219598, -15.575144711316684, -15.575144715394861, -15.575144715404674, -15.575144715414154, -15.575144715422347, -15.575144715428923, -15.57514471543375, -15.575144715434252, -15.575144715434408, -15.575144715434462, -15.575144715434542, -15.57514471543466, -15.575144715434783, -15.575144715437768, -15.575144715438118, -15.575144715438217, -15.575144715438313, -15.575144715438327, -15.575144715438379, -15.575144715438437, -15.575144715438494, -15.575144715438539, -15.575144715438702, -15.57514471543873, -15.575144715438805, -15.575144715438825, -15.575144715438885, -15.575144715438933, -15.57514471543896, -15.57514471543896]
VQE energy [Eh]: -15.57514471543896
VQE parameter: [ 0.0119963   0.01198103 -0.00476689 -0.00476264  0.05330213  0.05337917
  0.0717069   0.0369884   0.00948972  0.06300012 -0.05343635 -0.05343601
  0.06299939  0.00949102 -0.00087841 -0.0008793   0.09854647  0.05264863]

########################################
### distance is now 2.000000 angstrom ###
########################################
HF energy: -15.354417332570886 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.556      2.000
1  -0.354      2.000
2  -0.300      2.000
3   0.205      0.000
4   0.208      0.000
5   0.208      0.000
6   0.441      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.3544173326
 qulacs          = -15.3544173326
 hf_ene_from_mat = -15.3544173326


=== Electronic Configuration: 0 ===

Energy: -15.445761034145823 [Eh]
|Psi> = (  0.0003718405) |000000111100>
      + (  0.0496679960) |000011000011>
      + (  0.0182154564) |000011001100>
      + (  0.0182154564) |000011110000>
      + (  0.0157505323) |000111000010>
      + (  0.0154520883) |001000001101>
      + (  0.0154520883) |001000110001>
      + (  0.0204844948) |010010001100>
      + (  0.0204844948) |010010110000>
      + (  0.0256270731) |010110000010>
      + (  0.0937107785) |011001000010>
      + (  0.0135378370) |100001000011>
      + (  0.0937107785) |100110000001>
      + (  0.0256270731) |101001000001>
      + (  0.0314168889) |101101000000>
      + (  0.0214167582) |110000001100>
      + (  0.0214167582) |110000110000>
      + (  0.0118591003) |110100000010>
      + (  0.9289225965) |111100000000>
total probability = 0.8886978875712359


=== CASCI Result ===

CASCI E = -15.4457610341458  E(CI) = -3.19665448168297  S^2 = 0.0000000
CASCI energy = -15.44576103414581
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 4], [1, 5], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 4, 10], [0, 3, 4, 11], [0, 3, 5, 10], [1, 2, 4, 11], [1, 2, 5, 10], [1, 3, 5, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.442931
         Iterations: 23
         Function evaluations: 1708
         Gradient evaluations: 89
energy history [Eh]: [-15.354417332569671, -15.415909861112086, -15.441213934902205, -15.4418852359778, -15.442708181809769, -15.44284208762542, -15.442923779304902, -15.442929090066311, -15.442930994637182, -15.442931035104746, -15.442931068499002, -15.442931068521768, -15.442931068525606, -15.442931068529214, -15.442931068532573, -15.442931068535788, -15.442931068537023, -15.442931068537389, -15.442931068537428, -15.442931068537458, -15.442931068537463, -15.442931068537474, -15.442931068537476, -15.44293106853749]
VQE energy [Eh]: -15.44293106853749
VQE parameter: [ 0.02498338  0.02486629 -0.01019694 -0.01013517  0.11091725  0.05798129
  0.05807378  0.0772504   0.02488414  0.12129783 -0.09600488 -0.0960008
  0.12130543  0.02491771  0.21864475 -0.01108374 -0.01108448  0.08653624]

########################################
### distance is now 2.500000 angstrom ###
########################################
HF energy: -15.163068978241713 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.562      2.000
1  -0.301      2.000
2  -0.224      2.000
3   0.093      0.000
4   0.200      0.000
5   0.200      0.000
6   0.286      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.1630689782
 qulacs          = -15.1630689782
 hf_ene_from_mat = -15.1630689782


=== Electronic Configuration: 0 ===

Energy: -15.351491075144134 [Eh]
|Psi> = (  0.0123498900) |000000001111>
      + (  0.0123498900) |000000110011>
      + (  0.0403313637) |000111000010>
      + (  0.0369083044) |001000001101>
      + (  0.0369083044) |001000110001>
      + (  0.1057742152) |001100000011>
      + (  0.1020850450) |001100001100>
      + (  0.1020850450) |001100110000>
      + (  0.0065599373) |001111000000>
      + (  0.0275877539) |010010000011>
      + (  0.0860353858) |010110000010>
      + (  0.0887278196) |011001000010>
      + (  0.1135659410) |011110000000>
      + (  0.0512256020) |100001001100>
      + (  0.0512256020) |100001110000>
      + (  0.0887278196) |100110000001>
      + (  0.0860353858) |101001000001>
      + (  0.0207429763) |110000000011>
      + (  0.5068627591) |110011000000>
      + (  0.0664470035) |110100000010>
total probability = 0.3479412253465869


=== CASCI Result ===

CASCI E = -15.3514910751442  E(CI) = -2.86432720851387  S^2 = 0.0000000
CASCI energy = -15.351491075144157
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 4], [1, 5], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 4, 10], [0, 3, 4, 11], [0, 3, 5, 10], [1, 2, 4, 11], [1, 2, 5, 10], [1, 3, 5, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.339565
         Iterations: 23
         Function evaluations: 532
         Gradient evaluations: 28
energy history [Eh]: [-15.1630689782405, -15.313740091201588, -15.327469618031325, -15.331624352220462, -15.33662130730488, -15.33859252323119, -15.3395080588455, -15.339561351034732, -15.339564215977951, -15.339564451920015, -15.339564495115916, -15.339564519748242, -15.339564526788147, -15.339564528490666, -15.339564529566413, -15.339564529800386, -15.33956452990543, -15.339564529910191, -15.339564529915934, -15.339564529924244, -15.339564529934421, -15.33956452994243, -15.339564529943338, -15.339564529943338]
VQE energy [Eh]: -15.339564529943338
VQE parameter: [ 0.10229008  0.09938397  0.06393542  0.06265866  0.04593929  0.08306133
  0.08333732  0.1568908  -0.07998966 -0.18039244  0.10040403  0.10020967
 -0.18063344 -0.08066933  0.54252026 -0.01571324 -0.01571873  0.04285163]

########################################
### distance is now 3.000000 angstrom ###
########################################
HF energy: -15.024210006036416 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.546      2.000
1  -0.272      2.000
2  -0.162      2.000
3   0.021      0.000
4   0.198      0.000
5   0.198      0.000
6   0.219      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -15.0242100060
 qulacs          = -15.0242100060
 hf_ene_from_mat = -15.0242100060


=== Electronic Configuration: 0 ===

Energy: -15.33645938330673 [Eh]
|Psi> = (  0.0131956473) |000000001111>
      + (  0.0131956473) |000000110011>
      + (  0.0063103516) |000111000010>
      + (  0.0400075110) |001000001101>
      + (  0.0400075110) |001000110001>
      + (  0.1268458898) |001100000011>
      + (  0.1195258283) |001100001100>
      + (  0.1195258283) |001100110000>
      + (  0.0052762508) |010010000011>
      + (  0.0587356802) |010010001100>
      + (  0.0587356802) |010010110000>
      + (  0.1274964950) |011010000001>
      + (  0.1274964950) |100101000010>
      + (  0.1853050312) |101101000000>
      + (  0.6491845384) |110011000000>
      + (  0.1313865905) |110100000010>
total probability = 0.5607312669473614


=== CASCI Result ===

CASCI E = -15.3364593833067  E(CI) = -2.69056597628431  S^2 = 0.0000000
CASCI energy = -15.33645938330675
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 4], [1, 5], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 4, 10], [0, 3, 4, 11], [0, 3, 5, 10], [1, 2, 4, 11], [1, 2, 5, 10], [1, 3, 5, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.318554
         Iterations: 32
         Function evaluations: 1551
         Gradient evaluations: 81
energy history [Eh]: [-15.024210006035212, -15.250707106943903, -15.278426912218272, -15.306430262542822, -15.314518339109666, -15.317736750142052, -15.3184588052544, -15.318542943439656, -15.31855271695289, -15.318553650437176, -15.318553700402074, -15.318553706975006, -15.318553710420012, -15.318553711624016, -15.318553712125441, -15.318553712262844, -15.318553712338813, -15.318553712352413, -15.318553712359092, -15.318553712362293, -15.318553712363316, -15.318553712366132, -15.318553712368047, -15.318553712369207, -15.318553712369837, -15.318553712370246, -15.318553712370523, -15.31855371237082, -15.318553712372232, -15.318553712372768, -15.31855371237282, -15.318553712372882, -15.318553712372932]
VQE energy [Eh]: -15.318553712372932
VQE parameter: [-0.16963438 -0.16590965  0.11539343  0.11354286 -0.01668377  0.12838113
  0.12945034  0.16590123  0.07965991  0.13985721 -0.0607178  -0.06028376
  0.14022717  0.08020605  0.78651636  0.00847084  0.00846919 -0.00534948]

########################################
### distance is now 3.500000 angstrom ###
########################################
HF energy: -14.956016294835575 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.514      2.000
1  -0.262      2.000
2  -0.124      2.000
3  -0.024      0.000
4   0.207      0.000
5   0.207      0.000
6   0.211      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -14.9560162948
 qulacs          = -14.9560162948
 hf_ene_from_mat = -14.9560162948


=== Electronic Configuration: 0 ===

Energy: -15.336391498986243 [Eh]
|Psi> = (  0.0038129767) |000000001111>
      + (  0.0038129767) |000000110011>
      + (  0.0222672790) |001000001101>
      + (  0.0222672790) |001000110001>
      + (  0.0221785388) |001011000001>
      + (  0.1309808381) |001100000011>
      + (  0.1287370569) |001100001100>
      + (  0.1287370569) |001100110000>
      + (  0.0282936853) |010010000011>
      + (  0.0385456755) |010010001100>
      + (  0.0385456755) |010010110000>
      + (  0.0453363863) |011010000001>
      + (  0.0453363863) |100101000010>
      + (  0.1453404948) |101101000000>
      + (  0.6657871607) |110011000000>
      + (  0.0988288369) |110100000010>
total probability = 0.5338614567011446


=== CASCI Result ===

CASCI E = -15.3363914989862  E(CI) = -2.57709458391497  S^2 = 0.0000000
CASCI energy = -15.336391498986174
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 4], [1, 5], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 4, 10], [0, 3, 4, 11], [0, 3, 5, 10], [1, 2, 4, 11], [1, 2, 5, 10], [1, 3, 5, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.327852
         Iterations: 44
         Function evaluations: 4284
         Gradient evaluations: 224
energy history [Eh]: [-14.95601629483446, -15.279762899292741, -15.294865182215531, -15.318187922490031, -15.326827369218362, -15.327223232277642, -15.327632103597931, -15.32783779429928, -15.327850506353476, -15.327851629698296, -15.327851742653152, -15.327851743164912, -15.32785174328285, -15.327851743374762, -15.327851743392682, -15.327851743406054, -15.32785174341924, -15.327851743429333, -15.327851743440537, -15.327851743451506, -15.327851743453994, -15.327851743454907, -15.32785174345539, -15.327851743455735, -15.327851743455966, -15.327851743456083, -15.327851743456243, -15.327851743456419, -15.327851743457703, -15.327851743459247, -15.327851743460576, -15.32785174346209, -15.327851743462805, -15.327851743462809, -15.327851743462828, -15.327851743462846, -15.327851743462853, -15.327851743462864, -15.327851743462865, -15.327851743462872, -15.327851743462883, -15.327851743462887, -15.327851743462908, -15.327851743462924, -15.327851743462938]
VQE energy [Eh]: -15.327851743462938
VQE parameter: [-0.14190086 -0.14150084  0.09657981  0.09634415 -0.00733114  0.1726309
  0.17526045  0.17121689  0.0288248   0.05076933 -0.02201013 -0.0219642
  0.05077726  0.02882966  0.80650955  0.00963657  0.00963659  0.00109181]

########################################
### distance is now 4.000000 angstrom ###
########################################
HF energy: -14.934549381823713 (Hartree)
FCI energy: None (Hartree)
nele = 6, norb = 7, nspinorb = nqubits = 14
   Energy  Occupancy
0  -4.491      2.000
1  -0.256      2.000
2  -0.113      2.000
3  -0.043      0.000
4   0.218      0.000
5   0.218      0.000
6   0.218      0.000
active nele = 4, active nspinorb = nqubits = 12
MO occupancy in HF = [2. 2. 2. 0. 0. 0. 0.]
HF state in binary = 0b000000001111, where 1 is occ, 0 is unocc, and consider this by rotating it 90º counterclockwise!
Check HF energy:
 pyscf           = -14.9345493818
 qulacs          = -14.9345493818
 hf_ene_from_mat = -14.9345493818


=== Electronic Configuration: 0 ===

Energy: -15.336494672898091 [Eh]
|Psi> = (  0.1282769083) |000011000011>
      + (  0.1298558855) |000011001100>
      + (  0.1298558855) |000011110000>
      + (  0.0087195266) |000100001110>
      + (  0.0087195266) |000100110010>
      + (  0.0140320650) |000111000010>
      + (  0.0085451065) |001111000000>
      + (  0.0074429008) |010110000010>
      + (  0.0010223035) |011001000010>
      + (  0.0671605691) |011110000000>
      + (  0.0162914150) |100001000011>
      + (  0.0172458001) |100001001100>
      + (  0.0172458001) |100001110000>
      + (  0.0010223035) |100110000001>
      + (  0.0074429008) |101001000001>
      + (  0.0049994413) |110000000011>
      + (  0.0022902307) |110000001100>
      + (  0.0022902307) |110000110000>
      + (  0.0430270511) |111000000001>
      + (  0.6598618543) |111100000000>
total probability = 0.4933901950428335


=== CASCI Result ===

CASCI E = -15.3364946728981  E(CI) = -2.49215105423693  S^2 = 0.0000000
CASCI energy = -15.336494672898118
[0 1 2 3]
[ 4  5  6  7  8  9 10 11]
singles (16) = [[0, 4], [0, 6], [0, 8], [0, 10], [1, 5], [1, 7], [1, 9], [1, 11], [2, 4], [2, 6], [2, 8], [2, 10], [3, 5], [3, 7], [3, 9], [3, 11]]

doubles (76) = [[0, 1, 4, 5], [0, 1, 4, 7], [0, 1, 4, 9], [0, 1, 4, 11], [0, 1, 5, 6], [0, 1, 5, 8], [0, 1, 5, 10], [0, 1, 6, 7], [0, 1, 6, 9], [0, 1, 6, 11], [0, 1, 7, 8], [0, 1, 7, 10], [0, 1, 8, 9], [0, 1, 8, 11], [0, 1, 9, 10], [0, 1, 10, 11], [0, 2, 4, 6], [0, 2, 4, 8], [0, 2, 4, 10], [0, 2, 6, 8], [0, 2, 6, 10], [0, 2, 8, 10], [0, 3, 4, 5], [0, 3, 4, 7], [0, 3, 4, 9], [0, 3, 4, 11], [0, 3, 5, 6], [0, 3, 5, 8], [0, 3, 5, 10], [0, 3, 6, 7], [0, 3, 6, 9], [0, 3, 6, 11], [0, 3, 7, 8], [0, 3, 7, 10], [0, 3, 8, 9], [0, 3, 8, 11], [0, 3, 9, 10], [0, 3, 10, 11], [1, 2, 4, 5], [1, 2, 4, 7], [1, 2, 4, 9], [1, 2, 4, 11], [1, 2, 5, 6], [1, 2, 5, 8], [1, 2, 5, 10], [1, 2, 6, 7], [1, 2, 6, 9], [1, 2, 6, 11], [1, 2, 7, 8], [1, 2, 7, 10], [1, 2, 8, 9], [1, 2, 8, 11], [1, 2, 9, 10], [1, 2, 10, 11], [1, 3, 5, 7], [1, 3, 5, 9], [1, 3, 5, 11], [1, 3, 7, 9], [1, 3, 7, 11], [1, 3, 9, 11], [2, 3, 4, 5], [2, 3, 4, 7], [2, 3, 4, 9], [2, 3, 4, 11], [2, 3, 5, 6], [2, 3, 5, 8], [2, 3, 5, 10], [2, 3, 6, 7], [2, 3, 6, 9], [2, 3, 6, 11], [2, 3, 7, 8], [2, 3, 7, 10], [2, 3, 8, 9], [2, 3, 8, 11], [2, 3, 9, 10], [2, 3, 10, 11]]

initial state symmetry = ag
Symmetry reduced singles (4) = [[0, 4], [1, 5], [2, 10], [3, 11]]

Symmetry reduced doubles (14) = [[0, 1, 4, 5], [0, 1, 6, 7], [0, 1, 8, 9], [0, 1, 10, 11], [0, 2, 4, 10], [0, 3, 4, 11], [0, 3, 5, 10], [1, 2, 4, 11], [1, 2, 5, 10], [1, 3, 5, 11], [2, 3, 4, 5], [2, 3, 6, 7], [2, 3, 8, 9], [2, 3, 10, 11]]
Divide-by-zero encountered: rhok assumed large
Warning: Desired error not necessarily achieved due to precision loss.
         Current function value: -15.334721
         Iterations: 29
         Function evaluations: 3530
         Gradient evaluations: 185
energy history [Eh]: [-14.934549381822514, -15.317113774119628, -15.324889085461091, -15.33423844018104, -15.334606651276463, -15.334656637809331, -15.33470027745049, -15.334709499941635, -15.33472038046, -15.334721193024269, -15.334721218476506, -15.334721219292982, -15.334721219302832, -15.334721219302843, -15.334721219302882, -15.334721219302894, -15.334721219302898, -15.334721219302901, -15.334721219302914, -15.334721219310333, -15.33472121931679, -15.334721219316917, -15.334721219316998, -15.334721219317, -15.334721219317002, -15.334721219317004, -15.334721219317014, -15.334721219317052, -15.334721219317071, -15.334721219317071]
VQE energy [Eh]: -15.334721219317071
VQE parameter: [-0.0675805  -0.06757285  0.04500833  0.04500571 -0.00103861  0.18551351
  0.18879023  0.18928318  0.00466857  0.0084057  -0.00374542 -0.00374538
  0.0084152   0.00466927  0.78972465  0.00217217  0.00217208  0.00092861]

Normal termination of the VQE calculation.