# When calculating the CI between S0 and T1, the following error occurs

When calculating the CI between S0 and T1, the following error occurs：

We are using <S**2> to determine which singlet excited state is the target state.
Determine which singlet state to optimize in UCIS or Spin-Flip UCIS
A threshold of <S* *2> = 1.00 is used to identify singlet states
Excited state 1, <S^2> = 1.2039: is it a singlet? No.
Excited state 2, <S^2> = 1.6560: is it a singlet? No.
Excited state 3, <S^2> = 1.0600: is it a singlet? No.
Excited state 4, <S^2> = 1.1126: is it a singlet? No.
Excited state 5, <S^2> = 1.1399: is it a singlet? No.
Excited state 6, <S^2> = 1.0561: is it a singlet? No.
Excited state 7, <S^2> = 1.2408: is it a singlet? No.
Excited state 8, <S^2> = 1.9744: is it a singlet? No.
Excited state 9, <S^2> = 1.3155: is it a singlet? No.
Excited state 10, <S^2> = 1.4140: is it a singlet? No.

Q-Chem fatal error occurred in module drvman/cis_choose_state.C, line 105:

Please submit a crash report at Q-Chem Crash Reporter

My input file is as follows:
\$molecule
0 3
O 6.3899880950 -0.0134726842 -0.3098432908
C -0.6913400286 -0.5114708694 0.5242187733
C -0.6158037155 -1.8740083651 0.7378634012
H 0.3582098964 -2.3339559001 0.8730450964
C -1.8090161361 -2.5963157179 0.6073248569
H -1.8448728426 -3.6447755531 0.8897728237
C -3.0099699101 -1.9713637958 0.1609001926
C -4.2396256346 -2.6676776446 0.1547643240
H -4.2617973226 -3.6919866155 0.5067556769
C -5.4554322992 -2.0308012426 -0.1840541086
H -6.4012960890 -2.5633044726 -0.1172877134
C -5.4945870966 -0.6880257058 -0.5149088233
H -6.4426142624 -0.1961103244 -0.7229736131
C -4.2944422250 0.0854491667 -0.4464386583
C -4.2774366822 1.4830324345 -0.6376096827
H -5.1755487197 2.0366473351 -0.9463009354
C -3.0842947959 2.1955088969 -0.4397486891
H -3.0855702942 3.2721419636 -0.5390122338
C -1.9126031796 1.5737557935 0.0466256589
C -1.8904066056 0.1570848149 0.1711727828
C -3.0674131933 -0.5807905784 -0.1154124031
C -0.8030270803 2.3846435185 0.6696284667
H -1.0779002807 2.8179577000 1.6393498013
C 0.5335636225 2.4038100256 0.3970519356
H 1.0337230812 2.9761683549 1.1734905885
C 1.2460978772 1.8696967878 -0.7364259003
C 2.2629953997 0.9901002919 -0.2478097433
C 3.3197894711 1.7236133445 0.4103849813
H 3.0918113715 2.6581415333 0.8775034834
C 4.6517420334 1.3510936260 0.3445487906
H 5.4749773101 1.9724894826 0.7222742339
C 5.0465992589 0.1782903817 -0.2965151359
C 4.0309810389 -0.7244883399 -0.7355489630
H 4.3304764212 -1.6865350160 -1.1813591091
C 2.7051091932 -0.3262463608 -0.7220325582
H 1.9615996995 -1.0774932300 -1.0204865147
C 6.9703570328 -1.2598620503 -0.6655653336
H 6.4893822296 -2.1020656410 -0.1505067850
H 7.9990092695 -1.1385955089 -0.3204626510
H 6.9455570915 -1.4375358352 -1.7502230226
\$end

\$rem
JOBTYPE opt
MECP_OPT true
MECP_METHODS branching_plane
METHOD b3lyp
BASIS 6-31G(d)
SPIN_FLIP true
UNRESTRICTED true
CIS_N_ROOTS 10
MECP_STATE1 [0,1]
MECP_STATE2 [1,1]
CIS_S2_THRESH 100
sym_ignore true
symmetry off
set_iter = 300
geom_opt_max_cycles = 300
max_scf_cycles = 300
max_cis_cycles = 300
SOLVENT_METHOD smd
GEOM_OPT_COORDS 0
scf_algorithm = gdm
\$end

\$smx
solvent OTHER
\$end